#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 0.00 -3.80 -1.42 4.27 -1.26 -4.78 117.44 110.45 2oyy n TRP 2 Ca 0.00 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.33 2oyy n TRP 2 Cb 0.00 -0.18 -0.12 0.00 -1.36 0.00 0.00 31.31 29.65 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 -3.47 4.15 0.14 5.67 2.96 -1.26 -4.94 118.68 121.92 2oyy s LEU 3 Ca -0.02 -3.70 -0.04 0.00 -0.22 0.00 0.00 54.13 50.15 2oyy s LEU 3 Cb 0.06 -1.40 -0.06 0.00 0.50 0.00 0.00 46.19 45.29 2oyy s LEU 3 CO 0.39 -0.10 1.34 1.55 -1.32 0.00 0.00 176.35 178.20 2oyy h PRO 4 N 5.45 0.42 -3.77 0.98 0.13 -2.03 -3.47 132.00 129.71 2oyy h PRO 4 Ca 0.17 -0.42 -0.10 0.00 -0.87 0.00 0.00 66.00 64.78 2oyy h PRO 4 Cb 0.79 0.11 -0.09 0.00 0.13 0.00 0.00 31.00 31.93 2oyy h PRO 4 CO 0.65 1.08 -0.16 0.95 -0.23 0.00 0.00 178.00 180.29 2oyy s THR 5 N -3.37 0.00 -1.05 1.56 -4.23 -1.26 -5.03 115.64 102.26 2oyy s THR 5 Ca -0.06 -1.47 0.09 0.00 -1.18 0.00 0.00 61.69 59.07 2oyy s THR 5 Cb 0.09 -2.30 0.09 0.00 1.34 0.00 0.00 72.50 71.72 2oyy s THR 5 CO 0.86 0.00 0.84 0.18 -0.54 0.00 0.00 174.62 175.96 2oyy n LEU 6 N -0.40 1.87 -4.68 4.79 4.77 -1.26 -4.97 117.00 117.13 2oyy n LEU 6 Ca -0.01 -1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 54.42 2oyy n LEU 6 Cb 0.62 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 2oyy n LEU 6 CO 0.24 0.39 0.51 -0.69 -1.33 0.00 0.00 177.39 176.52 2oyy s VAL 7 N -0.77 4.95 0.09 4.08 1.01 -1.26 -4.50 120.40 124.00 2oyy s VAL 7 Ca 0.11 1.50 0.07 0.00 0.00 0.00 0.00 61.98 63.66 2oyy s VAL 7 Cb 0.08 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2oyy s VAL 7 CO 0.11 0.10 -0.18 0.28 0.00 0.00 0.00 175.10 175.41 2oyy s THR 8 N 1.78 1.42 0.34 3.92 -1.32 -1.26 -5.05 115.64 115.48 2oyy s THR 8 Ca 0.36 -1.44 0.02 0.00 -1.21 0.00 0.00 61.69 59.42 2oyy s THR 8 Cb -0.17 -1.33 0.22 0.00 -1.51 0.00 0.00 72.50 69.71 2oyy s THR 8 CO 0.13 -0.15 1.96 0.00 -2.21 0.00 0.00 174.62 174.35 2oyy h ALA 9 N 4.15 1.47 -2.56 11.08 0.00 -1.96 -3.47 119.26 127.97 2oyy h ALA 9 Ca -0.43 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 2oyy h ALA 9 Cb 1.19 -0.22 -0.17 0.00 0.00 0.00 0.00 17.79 18.58 2oyy h ALA 9 CO 0.40 0.43 -0.52 0.95 0.00 0.00 0.00 179.25 180.51 2oyy s THR 10 N -5.47 0.14 0.17 0.00 -4.23 -1.26 -5.04 115.64 99.95 2oyy s THR 10 Ca -0.09 -1.15 -0.19 0.00 -1.18 0.00 0.00 61.69 59.07 2oyy s THR 10 Cb 0.17 -0.98 0.10 0.00 1.34 0.00 0.00 72.50 73.13 2oyy s THR 10 CO 0.77 -0.64 1.64 -0.65 -0.54 0.00 0.00 174.62 175.20 2oyy h PRO 11 N 3.55 -0.11 -0.42 3.99 0.11 -1.94 0.26 132.00 137.43 2oyy h PRO 11 Ca -0.33 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.91 2oyy h PRO 11 Cb 1.18 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2oyy h PRO 11 CO 0.52 -0.07 0.43 0.37 -0.21 0.00 0.00 178.00 179.04 2oyy h GLN 12 N -0.12 0.00 0.03 1.05 4.15 -1.99 0.31 115.11 118.54 2oyy h GLN 12 Ca 0.19 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.34 2oyy h GLN 12 Cb 0.41 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 2oyy h GLN 12 CO -0.47 0.00 -1.45 0.93 -1.93 0.00 0.00 178.83 175.92 2oyy h GLU 13 N 0.00 0.07 -0.72 1.69 5.08 -1.00 -3.09 114.58 116.60 2oyy h GLU 13 Ca 0.20 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2oyy h GLU 13 Cb 1.06 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2oyy h GLU 13 CO -0.00 0.82 0.32 0.78 -1.00 0.00 0.00 179.01 179.93 2oyy h GLY 14 N 2.84 1.12 1.13 -3.84 0.00 0.15 -2.29 103.07 102.19 2oyy h GLY 14 Ca -0.19 -0.56 -0.17 0.00 0.00 0.00 0.00 47.33 46.41 2oyy h GLY 14 CO 0.11 0.53 -0.44 -2.75 0.00 0.00 0.00 176.54 173.99 2oyy h PHE 15 N 1.03 1.12 -0.30 5.60 3.57 -1.04 -1.85 116.94 125.07 2oyy h PHE 15 Ca 0.25 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 2oyy h PHE 15 Cb 0.14 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2oyy h PHE 15 CO 0.01 1.19 0.15 -0.44 -2.23 0.00 0.00 178.31 177.00 2oyy h ASP 16 N 0.73 0.39 -0.90 0.41 3.32 -1.51 -2.13 116.42 116.72 2oyy h ASP 16 Ca 0.04 -0.11 0.11 0.00 0.02 0.00 0.00 57.03 57.09 2oyy h ASP 16 Cb 1.05 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.42 2oyy h ASP 16 CO 0.11 0.39 0.53 0.25 -1.72 0.00 0.00 179.24 178.80 2oyy h LEU 17 N 0.36 0.76 -1.64 1.55 5.85 -1.36 -0.31 115.31 120.52 2oyy h LEU 17 Ca 0.10 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2oyy h LEU 17 Cb 0.10 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2oyy h LEU 17 CO -0.01 0.41 -0.05 0.00 -0.34 0.00 0.00 178.44 178.44 2oyy h ALA 18 N 1.50 1.71 0.01 1.25 0.00 -0.92 -1.00 119.26 121.81 2oyy h ALA 18 Ca 0.45 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 2oyy h ALA 18 Cb 0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2oyy h ALA 18 CO -0.27 0.22 -0.90 0.28 0.00 0.00 0.00 179.25 178.58 2oyy h VAL 19 N 0.16 1.61 0.17 0.00 2.07 -0.46 -2.82 116.25 116.97 2oyy h VAL 19 Ca 0.04 -2.98 -0.01 0.00 0.82 0.00 0.00 66.70 64.57 2oyy h VAL 19 Cb 0.20 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2oyy h VAL 19 CO 0.01 0.85 -0.08 0.50 0.02 0.00 0.00 177.57 178.87 2oyy h LYS 20 N 0.02 -0.21 -0.86 1.57 3.64 -0.67 -2.62 116.57 117.43 2oyy h LYS 20 Ca -0.02 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 2oyy h LYS 20 Cb 1.58 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 33.36 2oyy h LYS 20 CO 0.12 0.16 0.46 -0.07 -2.27 0.00 0.00 179.45 177.85 2oyy h LEU 21 N -0.64 0.59 -1.55 5.20 3.38 -1.27 0.96 115.31 121.99 2oyy h LEU 21 Ca -0.02 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2oyy h LEU 21 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2oyy h LEU 21 CO 0.04 0.26 -0.22 0.28 0.09 0.00 0.00 178.44 178.89 2oyy h SER 22 N 0.68 0.00 0.16 -0.43 0.02 -1.47 -3.11 113.55 109.39 2oyy h SER 22 Ca 0.46 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.09 2oyy h SER 22 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2oyy h SER 22 CO -0.34 0.22 -1.63 0.03 -1.14 0.00 0.00 176.83 173.97 2oyy h ARG 23 N 0.00 0.33 -0.02 3.45 3.08 -0.51 -3.36 114.38 117.36 2oyy h ARG 23 Ca -0.00 -0.57 -0.07 0.00 0.07 0.00 0.00 59.98 59.40 2oyy h ARG 23 Cb 0.52 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2oyy h ARG 23 CO 0.03 1.27 -0.34 -0.84 -1.07 0.00 0.00 179.97 179.02 2oyy h ILE 24 N -0.05 1.25 0.00 2.04 -0.00 -0.98 0.19 117.51 119.96 2oyy h ILE 24 Ca -0.33 -1.20 -0.00 0.00 -0.00 0.00 0.00 64.86 63.33 2oyy h ILE 24 Cb 1.97 1.62 -0.00 0.00 -0.00 0.00 0.00 36.82 40.41 2oyy h ILE 24 CO 0.13 0.35 -0.01 0.00 -0.00 0.00 0.00 178.15 178.62 2oyy h ALA 25 N 1.63 1.97 0.04 0.16 0.00 -1.70 0.13 119.26 121.48 2oyy h ALA 25 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2oyy h ALA 25 Cb 0.62 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2oyy h ALA 25 CO 0.05 0.01 -0.39 0.28 0.00 0.00 0.00 179.25 179.20 2oyy h VAL 26 N 0.00 1.58 0.04 0.00 2.07 -0.83 -2.88 116.25 116.24 2oyy h VAL 26 Ca -0.00 -2.22 0.02 0.00 0.82 0.00 0.00 66.70 65.33 2oyy h VAL 26 Cb 0.02 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 2oyy h VAL 26 CO 0.00 0.61 -0.23 0.50 0.02 0.00 0.00 177.57 178.48 2oyy h LYS 27 N -0.54 -0.37 -0.88 1.57 3.64 -0.84 -0.03 116.57 119.13 2oyy h LYS 27 Ca -0.06 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2oyy h LYS 27 Cb 1.22 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 2oyy h LYS 27 CO 0.07 -0.24 0.57 0.87 -2.27 0.00 0.00 179.45 178.45 2oyy h LYS 28 N -0.38 0.82 0.00 1.90 1.57 -0.85 -1.78 116.57 117.85 2oyy h LYS 28 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2oyy h LYS 28 Cb 0.44 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2oyy h LYS 28 CO -0.18 0.54 -0.55 1.79 -0.57 0.00 0.00 179.45 180.49 2oyy h THR 29 N 0.85 0.00 -2.47 -0.16 1.35 -1.23 -3.40 112.91 107.85 2oyy h THR 29 Ca 0.41 -0.97 -0.56 0.00 -0.55 0.00 0.00 66.41 64.74 2oyy h THR 29 Cb 0.44 1.69 -0.38 0.00 -1.73 0.00 0.00 68.15 68.17 2oyy h THR 29 CO -0.18 0.00 -0.86 -1.58 -0.25 0.00 0.00 175.52 172.65 2oyy s GLN 30 N -3.29 0.63 0.00 4.72 2.00 -0.06 -5.01 119.66 118.65 2oyy s GLN 30 Ca 0.03 -1.45 0.29 0.00 -2.00 0.00 0.00 55.36 52.23 2oyy s GLN 30 Cb 0.08 -1.26 1.20 0.00 0.80 0.00 0.00 33.01 33.83 2oyy s GLN 30 CO 0.73 -1.25 1.88 -0.35 -0.50 0.00 0.00 175.29 175.81 2oyy n PRO 31 N 3.81 0.17 -1.97 1.67 -0.04 -0.73 -4.50 135.00 133.40 2oyy n PRO 31 Ca 0.16 -0.03 -0.27 0.00 -0.04 0.00 0.00 63.50 63.32 2oyy n PRO 31 Cb 0.40 -1.50 -0.05 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 -2.85 4.99 0.46 3.54 3.68 -1.26 -4.81 116.67 120.42 2oyy s ASP 32 Ca 0.18 -0.38 0.28 0.00 2.13 0.00 0.00 52.55 54.77 2oyy s ASP 32 Cb 0.19 -2.55 1.34 0.00 -1.45 0.00 0.00 42.92 40.45 2oyy s ASP 32 CO 0.53 -2.83 1.75 0.00 0.13 0.00 0.00 175.17 174.75 2oyy h ALA 33 N 12.28 2.69 -0.38 3.66 0.00 -1.97 -2.07 119.26 133.47 2oyy h ALA 33 Ca 0.02 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2oyy h ALA 33 Cb 1.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2oyy h ALA 33 CO 1.18 -1.11 -0.06 0.37 0.00 0.00 0.00 179.25 179.63 2oyy h GLN 34 N 0.19 0.72 -0.14 0.00 4.15 -1.96 -2.20 115.11 115.87 2oyy h GLN 34 Ca 0.63 -0.26 -0.12 0.00 0.77 0.00 0.00 58.65 59.67 2oyy h GLN 34 Cb 2.02 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.65 2oyy h GLN 34 CO -0.20 0.85 -0.43 -0.39 -1.93 0.00 0.00 178.83 176.72 2oyy h VAL 35 N 0.52 1.32 -0.57 2.39 -1.51 -1.79 -2.79 116.25 113.82 2oyy h VAL 35 Ca 0.10 -1.60 -0.02 0.00 -1.23 0.00 0.00 66.70 63.96 2oyy h VAL 35 Cb 0.57 1.69 -0.03 0.00 -2.13 0.00 0.00 31.29 31.39 2oyy h VAL 35 CO 0.03 0.48 0.28 0.03 -1.23 0.00 0.00 177.57 177.17 2oyy h ARG 36 N 0.27 0.80 -0.76 5.19 3.08 -1.32 0.32 114.38 121.97 2oyy h ARG 36 Ca 0.02 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2oyy h ARG 36 Cb 0.88 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 2oyy h ARG 36 CO 0.07 0.62 0.35 -0.44 -1.07 0.00 0.00 179.97 179.50 2oyy h ASP 37 N 0.80 1.01 -0.38 7.04 3.32 -1.23 0.21 116.42 127.18 2oyy h ASP 37 Ca 0.20 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2oyy h ASP 37 Cb 0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2oyy h ASP 37 CO -0.03 0.87 0.06 0.74 -1.72 0.00 0.00 179.24 179.17 2oyy h THR 38 N 1.08 1.24 -0.03 0.35 2.02 -0.66 -2.81 112.91 114.09 2oyy h THR 38 Ca 0.26 -0.86 -0.14 0.00 0.77 0.00 0.00 66.41 66.44 2oyy h THR 38 Cb 0.14 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2oyy h THR 38 CO -0.03 0.29 -0.63 -0.07 0.37 0.00 0.00 175.52 175.45 2oyy h LEU 39 N 0.48 0.12 0.33 2.58 3.38 -0.33 -3.13 115.31 118.73 2oyy h LEU 39 Ca 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2oyy h LEU 39 Cb 0.36 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2oyy h LEU 39 CO 0.01 0.72 -0.23 -0.09 0.09 0.00 0.00 178.44 178.94 2oyy h ARG 40 N 0.07 -0.53 -0.72 1.13 9.65 -0.47 -0.00 114.38 123.51 2oyy h ARG 40 Ca -0.01 0.04 0.19 0.00 -1.10 0.00 0.00 59.98 59.10 2oyy h ARG 40 Cb 1.13 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.79 2oyy h ARG 40 CO 0.09 -0.35 0.51 0.00 2.80 0.00 0.00 179.97 183.02 2oyy h ALA 41 N 0.08 2.54 0.32 2.80 0.00 -1.51 -0.17 119.26 123.32 2oyy h ALA 41 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2oyy h ALA 41 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2oyy h ALA 41 CO 0.01 -0.75 -0.15 0.28 0.00 0.00 0.00 179.25 178.64 2oyy h VAL 42 N 0.10 0.16 0.00 0.00 2.07 -1.28 -3.38 116.25 113.91 2oyy h VAL 42 Ca 0.35 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2oyy h VAL 42 Cb 1.25 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2oyy h VAL 42 CO -0.04 0.04 -0.05 0.10 0.02 0.00 0.00 177.57 177.65 2oyy h TYR 43 N -1.08 0.00 0.00 1.57 -0.00 -0.52 -3.15 116.97 113.79 2oyy h TYR 43 Ca -0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.63 2oyy h TYR 43 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.12 2oyy h TYR 43 CO 0.02 0.00 -0.27 1.05 -0.00 0.00 0.00 178.16 178.95 2oyy h GLU 44 N 0.00 0.00 -0.49 0.10 4.11 -1.22 -0.90 114.58 116.18 2oyy h GLU 44 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2oyy h GLU 44 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2oyy h GLU 44 CO 0.00 0.27 0.00 0.36 0.07 0.00 0.00 179.01 179.71 2oyy n LYS 45 N -3.60 4.12 -3.75 1.06 2.85 -1.19 -4.89 118.16 112.76 2oyy n LYS 45 Ca -0.01 -3.00 -0.38 0.00 -1.05 0.00 0.00 58.31 53.87 2oyy n LYS 45 Cb 0.41 -2.06 -0.12 0.00 -0.65 0.00 0.00 35.03 32.60 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 -1.14 5.31 0.14 -5.58 -1.08 -0.34 -5.00 116.67 108.98 2oyy s ASP 46 Ca 0.50 -1.19 -0.28 0.00 -0.52 0.00 0.00 52.55 51.06 2oyy s ASP 46 Cb 0.37 -1.87 -0.03 0.00 -1.46 0.00 0.00 42.92 39.94 2oyy s ASP 46 CO 0.15 -0.34 1.58 0.00 0.52 0.00 0.00 175.17 177.09 2oyy h ALA 47 N 8.21 -0.51 -0.81 3.66 0.00 -1.90 -1.89 119.26 126.02 2oyy h ALA 47 Ca -0.23 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2oyy h ALA 47 Cb 1.08 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 2oyy h ALA 47 CO 0.61 -0.89 0.51 -0.91 0.00 0.00 0.00 179.25 178.57 2oyy h ASN 48 N -0.42 0.96 -0.47 0.00 -0.26 -1.94 -2.18 115.58 111.26 2oyy h ASN 48 Ca 0.10 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 2oyy h ASN 48 Cb 0.60 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 2oyy h ASN 48 CO -0.46 0.72 0.19 0.00 -1.06 0.00 0.00 177.43 176.82 2oyy h ALA 49 N 1.45 0.61 -0.67 -0.83 0.00 -1.75 -1.40 119.26 116.67 2oyy h ALA 49 Ca 0.29 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2oyy h ALA 49 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2oyy h ALA 49 CO -0.06 0.21 0.14 -0.07 0.00 0.00 0.00 179.25 179.48 2oyy h LEU 50 N 0.62 1.02 -0.15 0.00 3.38 -0.88 0.92 115.31 120.22 2oyy h LEU 50 Ca 0.16 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2oyy h LEU 50 Cb 0.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2oyy h LEU 50 CO -0.01 0.99 0.05 0.40 0.09 0.00 0.00 178.44 179.95 2oyy h ILE 51 N 1.01 0.96 -0.35 1.22 2.04 -1.30 0.11 117.51 121.20 2oyy h ILE 51 Ca 0.21 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 2oyy h ILE 51 Cb 0.39 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2oyy h ILE 51 CO 0.01 0.02 0.16 0.00 0.00 0.00 0.00 178.15 178.33 2oyy h ALA 52 N 1.09 1.62 0.20 1.87 0.00 -0.12 -0.78 119.26 123.13 2oyy h ALA 52 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2oyy h ALA 52 Cb 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2oyy h ALA 52 CO -0.07 0.31 -0.09 0.28 0.00 0.00 0.00 179.25 179.68 2oyy h VAL 53 N 0.49 0.88 -0.10 0.00 2.07 0.13 -2.78 116.25 116.93 2oyy h VAL 53 Ca 0.12 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2oyy h VAL 53 Cb 0.07 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2oyy h VAL 53 CO -0.02 0.09 0.08 -1.28 0.02 0.00 0.00 177.57 176.47 2oyy h SER 54 N -0.46 0.00 -0.04 0.57 0.87 0.53 -1.31 113.55 113.70 2oyy h SER 54 Ca -0.03 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.32 2oyy h SER 54 Cb 0.35 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2oyy h SER 54 CO 0.04 0.00 -0.78 0.00 -0.53 0.00 0.00 176.83 175.56 2oyy h ALA 55 N 1.93 0.37 -0.81 6.23 0.00 -1.11 -1.72 119.26 124.16 2oyy h ALA 55 Ca 0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2oyy h ALA 55 Cb 0.21 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2oyy h ALA 55 CO -0.00 0.70 0.39 0.28 0.00 0.00 0.00 179.25 180.62 2oyy h VAL 56 N 0.47 1.25 0.00 0.00 2.07 -0.96 -2.19 116.25 116.89 2oyy h VAL 56 Ca -0.05 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 2oyy h VAL 56 Cb 1.40 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2oyy h VAL 56 CO 0.15 0.30 -0.47 1.62 0.02 0.00 0.00 177.57 179.20 2oyy h VAL 57 N 1.16 1.00 -0.46 2.57 3.04 -1.37 -2.96 116.25 119.23 2oyy h VAL 57 Ca 0.28 -1.84 0.01 0.00 -1.01 0.00 0.00 66.70 64.14 2oyy h VAL 57 Cb 0.11 2.10 -0.03 0.00 -2.01 0.00 0.00 31.29 31.47 2oyy h VAL 57 CO -0.04 0.46 0.29 0.00 -1.01 0.00 0.00 177.57 177.27 2oyy h ALA 58 N 1.53 0.59 0.26 3.17 0.00 -0.72 -0.10 119.26 123.99 2oyy h ALA 58 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2oyy h ALA 58 Cb 1.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2oyy h ALA 58 CO 0.06 -0.00 -0.12 1.15 0.00 0.00 0.00 179.25 180.33 2oyy h THR 59 N 0.59 0.78 -0.28 0.00 2.02 -1.28 -1.93 112.91 112.80 2oyy h THR 59 Ca 0.18 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 67.14 2oyy h THR 59 Cb -0.03 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 2oyy h THR 59 CO -0.06 0.06 -0.06 0.45 0.37 0.00 0.00 175.52 176.28 2oyy h HIS 60 N -0.49 -0.12 -0.55 3.16 3.86 -1.47 -1.67 115.15 117.87 2oyy h HIS 60 Ca -0.04 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.29 2oyy h HIS 60 Cb 0.37 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 2oyy h HIS 60 CO -0.02 -0.11 0.37 0.35 0.86 0.00 0.00 177.93 179.38 2oyy h PHE 61 N 0.02 0.36 -0.07 2.45 3.57 -0.91 0.45 116.94 122.80 2oyy h PHE 61 Ca 0.14 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 2oyy h PHE 61 Cb 0.20 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 2oyy h PHE 61 CO -0.26 0.17 -0.16 0.37 -2.23 0.00 0.00 178.31 176.20 2oyy h GLN 62 N 0.34 -0.21 -0.18 1.11 4.15 -0.49 0.11 115.11 119.93 2oyy h GLN 62 Ca 0.25 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 2oyy h GLN 62 Cb 0.54 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 2oyy h GLN 62 CO -0.06 -0.14 0.02 1.15 -1.93 0.00 0.00 178.83 177.86 2oyy h THR 63 N -0.22 1.24 -0.08 2.39 2.02 0.15 -2.26 112.91 116.15 2oyy h THR 63 Ca 0.08 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 66.33 2oyy h THR 63 Cb 0.33 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2oyy h THR 63 CO -0.20 0.24 -0.57 -0.29 0.37 0.00 0.00 175.52 175.06 2oyy h ILE 64 N 0.08 1.37 -0.76 3.11 2.10 -0.76 -2.24 117.51 120.41 2oyy h ILE 64 Ca 0.05 -1.91 -0.04 0.00 1.08 0.00 0.00 64.86 64.05 2oyy h ILE 64 Cb 0.34 1.94 -0.03 0.00 -1.09 0.00 0.00 36.82 37.98 2oyy h ILE 64 CO 0.01 0.56 0.33 0.00 -1.08 0.00 0.00 178.15 177.98 2oyy h ALA 65 N 1.21 1.15 -0.72 0.18 0.00 -0.78 -2.17 119.26 118.14 2oyy h ALA 65 Ca -0.00 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2oyy h ALA 65 Cb 1.06 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2oyy h ALA 65 CO 0.09 0.63 0.45 0.00 0.00 0.00 0.00 179.25 180.42 2oyy h ALA 66 N 1.27 0.94 0.27 0.00 0.00 -1.03 0.41 119.26 121.12 2oyy h ALA 66 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2oyy h ALA 66 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2oyy h ALA 66 CO -0.03 0.23 -0.19 0.00 0.00 0.00 0.00 179.25 179.26 2oyy h ALA 67 N 1.31 -0.45 0.00 0.00 0.00 -0.98 -1.97 119.26 117.17 2oyy h ALA 67 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2oyy h ALA 67 Cb 0.03 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2oyy h ALA 67 CO -0.11 -0.77 0.00 0.09 0.00 0.00 0.00 179.25 178.46 2oyy n ASN 68 N -5.32 0.05 -2.99 0.00 4.13 -0.85 -4.83 115.26 105.45 2oyy n ASN 68 Ca -0.09 -1.79 -0.20 0.00 1.68 0.00 0.00 54.58 54.18 2oyy n ASN 68 Cb 0.23 -0.03 0.01 0.00 -1.54 0.00 0.00 39.78 38.45 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 -0.47 -4.51 -0.55 6.41 4.64 -0.74 -0.77 116.55 120.58 2oyy n ASP 69 Ca 0.00 -0.19 -0.07 0.00 -1.38 0.00 0.00 54.79 53.14 2oyy n ASP 69 Cb 0.01 -3.72 -0.03 0.00 -1.04 0.00 0.00 41.12 36.34 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 -3.95 0.00 -0.50 -0.67 4.01 0.14 -5.01 117.16 111.18 2oyy n TYR 70 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2oyy n TYR 70 Cb 0.59 -1.98 0.00 0.00 -0.31 0.00 0.00 39.34 37.63 2oyy n TYR 70 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31