#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1y h LEU 3 N 0.00 0.00 -2.96 0.99 5.85 -1.93 -2.33 115.31 114.94 2d1y h LEU 3 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2d1y h LEU 3 Cb 0.00 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 40.92 2d1y h LEU 3 CO 0.00 0.05 -0.61 0.49 -0.34 0.00 0.00 178.44 178.03 2d1y n PHE 4 N -3.63 0.00 -1.68 1.25 3.72 -1.06 -4.98 117.46 111.08 2d1y n PHE 4 Ca -0.02 -1.11 -0.48 0.00 -0.05 0.00 0.00 57.45 55.79 2d1y n PHE 4 Cb 0.16 -0.21 -0.05 0.00 -0.94 0.00 0.00 39.48 38.45 2d1y n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d1y n ALA 5 N -0.64 0.99 -0.75 4.37 0.00 -0.88 -1.65 120.51 121.96 2d1y n ALA 5 Ca 0.14 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2d1y n ALA 5 Cb 0.82 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2d1y n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d1y n GLY 6 N 4.16 1.23 3.84 0.00 0.00 -0.78 -4.91 105.19 108.73 2d1y n GLY 6 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 2d1y n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d1y s LYS 7 N -0.09 4.09 -0.18 1.61 -0.14 -0.66 -4.77 119.74 119.60 2d1y s LYS 7 Ca 0.00 0.72 -0.20 0.00 -1.36 0.00 0.00 55.97 55.13 2d1y s LYS 7 Cb 0.00 -2.66 -0.03 0.00 -1.68 0.00 0.00 37.83 33.46 2d1y s LYS 7 CO 0.00 0.28 0.60 0.20 -0.76 0.00 0.00 175.35 175.68 2d1y s GLY 8 N -1.99 2.11 -0.11 -3.33 0.00 -1.26 -0.64 107.32 102.11 2d1y s GLY 8 Ca 0.48 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 44.96 2d1y s GLY 8 CO 0.19 1.22 -0.16 0.14 0.00 0.00 0.00 173.10 174.50 2d1y s VAL 9 N 1.70 1.54 -0.20 1.40 1.01 -0.11 -0.27 120.40 125.46 2d1y s VAL 9 Ca 0.28 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 2d1y s VAL 9 Cb -0.16 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2d1y s VAL 9 CO 0.11 0.45 0.11 -0.76 0.00 0.00 0.00 175.10 175.00 2d1y s LEU 10 N 0.98 4.04 -0.13 3.92 1.02 0.28 -0.86 118.68 127.94 2d1y s LEU 10 Ca -0.07 0.15 -0.00 0.00 0.02 0.00 0.00 54.13 54.23 2d1y s LEU 10 Cb -0.15 -2.04 0.03 0.00 0.02 0.00 0.00 46.19 44.05 2d1y s LEU 10 CO -0.02 0.16 -0.07 -0.69 0.02 0.00 0.00 176.35 175.75 2d1y s VAL 11 N 0.47 1.07 0.21 -1.59 1.01 -0.22 -0.43 120.40 120.93 2d1y s VAL 11 Ca 0.06 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 2d1y s VAL 11 Cb -0.12 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.07 2d1y s VAL 11 CO -0.00 0.32 0.57 0.42 0.00 0.00 0.00 175.10 176.41 2d1y s THR 12 N 1.68 4.88 -1.21 3.92 -4.23 -0.88 -1.57 115.64 118.23 2d1y s THR 12 Ca 0.04 0.63 -0.06 0.00 -1.18 0.00 0.00 61.69 61.12 2d1y s THR 12 Cb -0.13 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.06 2d1y s THR 12 CO -0.08 0.01 1.05 0.61 -0.54 0.00 0.00 174.62 175.67 2d1y n GLY 13 N 0.12 -0.40 0.75 3.99 0.00 0.23 -2.80 105.19 107.09 2d1y n GLY 13 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.24 2d1y n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d1y n GLY 14 N -1.67 0.88 0.18 -0.02 0.00 -0.84 -4.05 105.19 99.66 2d1y n GLY 14 Ca -0.07 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.51 2d1y n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d1y h ALA 15 N 3.85 1.30 -2.90 4.61 0.00 -1.89 -3.20 119.26 121.03 2d1y h ALA 15 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2d1y h ALA 15 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2d1y h ALA 15 CO 0.00 0.53 0.10 2.89 0.00 0.00 0.00 179.25 182.77 2d1y n ARG 16 N -4.03 0.67 0.00 0.00 1.85 -1.26 -4.57 116.66 109.32 2d1y n ARG 16 Ca -0.02 -1.58 0.00 0.00 -1.00 0.00 0.00 57.85 55.25 2d1y n ARG 16 Cb 0.45 1.83 0.00 0.00 -1.05 0.00 0.00 32.46 33.69 2d1y n ARG 16 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2d1y n GLY 17 N -0.36 2.43 0.29 2.89 0.00 -1.26 -1.85 105.19 107.33 2d1y n GLY 17 Ca -0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 2d1y n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2d1y h ILE 18 N 0.00 1.21 -0.68 -0.61 2.04 -1.90 -2.04 117.51 115.53 2d1y h ILE 18 Ca 0.00 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.36 2d1y h ILE 18 Cb 0.00 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 2d1y h ILE 18 CO 0.00 0.23 0.43 1.23 0.00 0.00 0.00 178.15 180.04 2d1y h GLY 19 N 0.96 0.98 0.99 5.37 0.00 -1.68 0.79 103.07 110.49 2d1y h GLY 19 Ca 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2d1y h GLY 19 CO -0.04 0.28 0.25 -0.09 0.00 0.00 0.00 176.54 176.94 2d1y h ARG 20 N 0.85 0.83 -0.65 4.80 2.43 -1.05 -1.16 114.38 120.43 2d1y h ARG 20 Ca 0.27 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2d1y h ARG 20 Cb 0.01 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2d1y h ARG 20 CO -0.10 0.70 0.26 0.00 -1.51 0.00 0.00 179.97 179.32 2d1y h ALA 21 N 1.09 1.24 -0.39 2.80 0.00 -0.70 -0.97 119.26 122.32 2d1y h ALA 21 Ca 0.19 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2d1y h ALA 21 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2d1y h ALA 21 CO -0.02 0.56 -0.02 0.82 0.00 0.00 0.00 179.25 180.59 2d1y h ILE 22 N 0.94 1.26 -0.51 0.00 2.04 -0.46 -1.10 117.51 119.68 2d1y h ILE 22 Ca 0.22 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2d1y h ILE 22 Cb 0.18 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2d1y h ILE 22 CO -0.02 0.35 0.27 0.00 0.00 0.00 0.00 178.15 178.75 2d1y h ALA 23 N 0.87 0.65 -0.75 1.87 0.00 -0.89 -1.63 119.26 119.39 2d1y h ALA 23 Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2d1y h ALA 23 Cb 0.50 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2d1y h ALA 23 CO 0.02 0.19 0.32 1.96 0.00 0.00 0.00 179.25 181.74 2d1y h GLN 24 N 0.67 1.10 -0.30 0.00 4.20 -1.07 -1.33 115.11 118.38 2d1y h GLN 24 Ca 0.18 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2d1y h GLN 24 Cb 0.07 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2d1y h GLN 24 CO -0.03 0.89 0.14 0.00 -0.67 0.00 0.00 178.83 179.16 2d1y h ALA 25 N 1.16 0.39 -0.57 3.87 0.00 -0.82 -0.22 119.26 123.07 2d1y h ALA 25 Ca 0.25 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2d1y h ALA 25 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2d1y h ALA 25 CO -0.03 -0.04 0.12 0.74 0.00 0.00 0.00 179.25 180.04 2d1y h PHE 26 N 0.36 0.98 -0.72 0.00 0.04 -1.17 -2.60 116.94 113.83 2d1y h PHE 26 Ca 0.10 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2d1y h PHE 26 Cb 0.12 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2d1y h PHE 26 CO -0.02 0.85 0.44 0.00 -0.60 0.00 0.00 178.31 178.98 2d1y h ALA 27 N 1.02 0.92 -0.51 2.45 0.00 -1.00 -1.33 119.26 120.82 2d1y h ALA 27 Ca 0.18 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2d1y h ALA 27 Cb 0.38 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2d1y h ALA 27 CO 0.01 0.39 0.34 -0.09 0.00 0.00 0.00 179.25 179.90 2d1y h ARG 28 N 0.99 0.52 -0.64 0.00 2.43 -0.83 -0.85 114.38 116.00 2d1y h ARG 28 Ca 0.26 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2d1y h ARG 28 Cb -0.03 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2d1y h ARG 28 CO -0.05 0.34 0.00 0.39 -1.51 0.00 0.00 179.97 179.14 2d1y n GLU 29 N -4.47 1.99 -0.95 0.20 -0.58 -0.57 -4.89 120.64 111.37 2d1y n GLU 29 Ca 0.06 -0.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.85 2d1y n GLU 29 Cb 0.18 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 2d1y n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2d1y n GLY 30 N 0.45 0.65 3.81 0.62 0.00 -0.32 -2.35 105.19 108.05 2d1y n GLY 30 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2d1y n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d1y s ALA 31 N -2.52 2.86 -0.50 4.61 0.00 -0.77 -1.87 121.76 123.57 2d1y s ALA 31 Ca 0.00 0.40 -0.21 0.00 0.00 0.00 0.00 51.96 52.15 2d1y s ALA 31 Cb 0.00 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.95 2d1y s ALA 31 CO 0.00 -0.51 0.73 -0.51 0.00 0.00 0.00 175.76 175.47 2d1y s LEU 32 N -4.09 4.55 -0.15 0.00 1.02 0.19 -4.48 118.68 115.72 2d1y s LEU 32 Ca 0.63 -0.54 -0.10 0.00 0.02 0.00 0.00 54.13 54.14 2d1y s LEU 32 Cb -0.14 -2.67 -0.05 0.00 0.02 0.00 0.00 46.19 43.35 2d1y s LEU 32 CO 0.30 -0.96 0.18 -0.69 0.02 0.00 0.00 176.35 175.20 2d1y s VAL 33 N 3.10 5.41 -0.22 -1.59 1.01 -1.26 -0.94 120.40 125.92 2d1y s VAL 33 Ca 0.23 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2d1y s VAL 33 Cb -0.15 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.79 2d1y s VAL 33 CO 0.17 0.52 -0.11 0.00 0.00 0.00 0.00 175.10 175.67 2d1y s ALA 34 N -0.29 2.20 0.08 5.51 0.00 -0.04 -0.35 121.76 128.87 2d1y s ALA 34 Ca 0.13 -1.38 0.09 0.00 0.00 0.00 0.00 51.96 50.80 2d1y s ALA 34 Cb -0.12 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 2d1y s ALA 34 CO 0.02 -0.91 -0.22 -0.48 0.00 0.00 0.00 175.76 174.18 2d1y s LEU 35 N 1.30 2.48 0.20 0.00 0.05 -0.02 -1.06 118.68 121.63 2d1y s LEU 35 Ca -0.03 -0.56 0.08 0.00 0.05 0.00 0.00 54.13 53.67 2d1y s LEU 35 Cb -0.17 -1.42 -0.05 0.00 -2.05 0.00 0.00 46.19 42.51 2d1y s LEU 35 CO -0.08 0.22 -0.15 0.00 -0.55 0.00 0.00 176.35 175.80 2d1y s ASP 37 N -3.24 -0.20 0.17 0.00 -1.08 -0.97 -0.60 116.67 110.76 2d1y s ASP 37 Ca 0.22 0.01 0.16 0.00 -0.52 0.00 0.00 52.55 52.42 2d1y s ASP 37 Cb -0.02 0.21 -0.04 0.00 -1.46 0.00 0.00 42.92 41.61 2d1y s ASP 37 CO 0.07 -0.33 1.14 0.25 0.52 0.00 0.00 175.17 176.82 2d1y h LEU 38 N 2.02 0.00 -9.64 -1.34 5.85 -1.87 -1.58 115.31 108.74 2d1y h LEU 38 Ca -0.13 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.08 2d1y h LEU 38 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2d1y h LEU 38 CO 0.25 0.55 0.40 -0.13 -0.34 0.00 0.00 178.44 179.18 2d1y s ARG 39 N -2.94 4.69 0.50 1.25 0.52 -1.26 -4.86 118.95 116.85 2d1y s ARG 39 Ca 0.01 1.56 0.23 0.00 -0.52 0.00 0.00 55.73 57.01 2d1y s ARG 39 Cb 0.08 -3.32 1.30 0.00 0.52 0.00 0.00 34.95 33.53 2d1y s ARG 39 CO 0.78 0.22 2.05 -1.00 0.02 0.00 0.00 175.30 177.37 2d1y h PRO 40 N 5.08 0.00 0.00 3.54 0.13 -2.01 -3.01 132.00 135.74 2d1y h PRO 40 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2d1y h PRO 40 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2d1y h PRO 40 CO 0.71 0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 177.77 2d1y n GLU 41 N -3.89 0.01 0.28 0.86 0.00 -1.26 -1.72 120.64 114.91 2d1y n GLU 41 Ca -0.02 0.41 0.15 0.00 0.00 0.00 0.00 57.16 57.71 2d1y n GLU 41 Cb 0.24 -1.50 0.84 0.00 0.00 0.00 0.00 31.44 31.02 2d1y n GLU 41 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2d1y h GLY 42 N 0.72 0.00 0.93 -1.84 0.00 -1.77 -2.37 103.07 98.74 2d1y h GLY 42 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2d1y h GLY 42 CO 0.00 0.00 0.12 1.70 0.00 0.00 0.00 176.54 178.36 2d1y h LYS 43 N 0.00 0.61 -0.14 4.80 3.64 -1.60 -1.61 116.57 122.26 2d1y h LYS 43 Ca -0.00 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 2d1y h LYS 43 Cb 0.24 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2d1y h LYS 43 CO 0.01 0.62 -0.34 0.93 -2.27 0.00 0.00 179.45 178.40 2d1y h GLU 44 N 0.49 0.28 -0.09 1.90 3.07 -1.64 -0.92 114.58 117.67 2d1y h GLU 44 Ca 0.13 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2d1y h GLU 44 Cb 0.27 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2d1y h GLU 44 CO -0.00 0.59 0.02 0.28 -1.40 0.00 0.00 179.01 178.50 2d1y h VAL 45 N 0.25 1.20 -0.55 3.13 2.07 -1.32 -1.05 116.25 119.97 2d1y h VAL 45 Ca 0.03 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2d1y h VAL 45 Cb 0.72 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2d1y h VAL 45 CO 0.05 0.18 0.36 0.00 0.02 0.00 0.00 177.57 178.17 2d1y h ALA 46 N 0.80 0.70 -0.68 1.67 0.00 -1.10 -2.38 119.26 118.27 2d1y h ALA 46 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2d1y h ALA 46 Cb 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2d1y h ALA 46 CO 0.00 0.16 0.41 0.93 0.00 0.00 0.00 179.25 180.75 2d1y h GLU 47 N 0.75 0.93 -0.40 0.00 5.08 -1.03 0.18 114.58 120.09 2d1y h GLU 47 Ca 0.20 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2d1y h GLU 47 Cb -0.06 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 2d1y h GLU 47 CO -0.04 0.66 0.02 0.00 -1.00 0.00 0.00 179.01 178.64 2d1y h ALA 48 N 1.21 1.28 -0.01 3.43 0.00 -0.89 -2.97 119.26 121.32 2d1y h ALA 48 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2d1y h ALA 48 Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2d1y h ALA 48 CO -0.05 0.49 -0.53 0.44 0.00 0.00 0.00 179.25 179.60 2d1y n ILE 49 N -4.26 0.00 -1.50 0.00 -5.35 -0.92 -4.96 119.36 102.36 2d1y n ILE 49 Ca 0.02 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 2d1y n ILE 49 Cb 0.26 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 2d1y n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2d1y n GLY 50 N 1.43 0.47 0.00 3.28 0.00 0.12 -4.93 105.19 105.56 2d1y n GLY 50 Ca 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2d1y n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d1y n GLY 51 N -1.72 3.01 3.41 -0.02 0.00 0.40 -4.84 105.19 105.43 2d1y n GLY 51 Ca 0.00 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 2d1y n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d1y s ALA 52 N -2.00 2.49 -0.06 4.61 0.00 0.52 -4.50 121.76 122.83 2d1y s ALA 52 Ca 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2d1y s ALA 52 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2d1y s ALA 52 CO 0.00 0.52 -0.13 0.12 0.00 0.00 0.00 175.76 176.26 2d1y s PHE 53 N -0.58 2.74 -0.14 0.00 5.36 -1.26 -0.84 117.98 123.27 2d1y s PHE 53 Ca 0.08 -0.18 -0.01 0.00 -0.96 0.00 0.00 56.93 55.87 2d1y s PHE 53 Cb -0.11 -1.66 0.04 0.00 -0.34 0.00 0.00 43.02 40.94 2d1y s PHE 53 CO 0.01 0.17 -0.04 -0.06 -1.46 0.00 0.00 175.22 173.84 2d1y s PHE 54 N -0.64 1.40 -0.43 10.12 0.08 -0.26 -4.97 117.98 123.28 2d1y s PHE 54 Ca 0.09 -0.82 -0.28 0.00 0.12 0.00 0.00 56.93 56.04 2d1y s PHE 54 Cb -0.11 -1.18 0.02 0.00 -0.57 0.00 0.00 43.02 41.19 2d1y s PHE 54 CO 0.01 -0.54 1.07 -1.14 -0.10 0.00 0.00 175.22 174.52 2d1y s GLN 55 N 1.73 3.80 0.02 0.44 0.74 -1.26 -2.28 119.66 122.84 2d1y s GLN 55 Ca 0.02 0.64 0.02 0.00 0.05 0.00 0.00 55.36 56.09 2d1y s GLN 55 Cb -0.14 -3.86 -0.01 0.00 1.10 0.00 0.00 33.01 30.10 2d1y s GLN 55 CO -0.07 -1.20 -0.07 0.08 -0.55 0.00 0.00 175.29 173.47 2d1y s VAL 56 N 4.08 0.54 -0.50 1.34 1.01 -0.59 -4.92 120.40 121.35 2d1y s VAL 56 Ca 0.45 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 2d1y s VAL 56 Cb -0.09 -0.52 0.12 0.00 0.00 0.00 0.00 36.38 35.89 2d1y s VAL 56 CO 0.26 -0.07 0.41 -0.62 0.00 0.00 0.00 175.10 175.08 2d1y s ASP 57 N -0.75 5.91 0.00 3.32 2.15 -1.26 -3.22 116.67 122.82 2d1y s ASP 57 Ca -0.02 -1.87 0.05 0.00 0.43 0.00 0.00 52.55 51.13 2d1y s ASP 57 Cb -0.06 -2.09 0.23 0.00 -0.30 0.00 0.00 42.92 40.70 2d1y s ASP 57 CO 0.00 -0.76 1.04 0.18 -0.17 0.00 0.00 175.17 175.46 2d1y n LEU 58 N 5.04 0.00 0.17 -1.34 4.77 -1.26 -1.64 117.00 122.74 2d1y n LEU 58 Ca -0.10 0.35 0.05 0.00 -0.03 0.00 0.00 56.01 56.28 2d1y n LEU 58 Cb 0.40 -0.35 0.23 0.00 -2.33 0.00 0.00 43.42 41.37 2d1y n LEU 58 CO 0.47 -0.30 0.61 -0.08 -1.33 0.00 0.00 177.39 176.76 2d1y h GLU 59 N 0.00 0.00 -5.66 3.23 4.81 -1.92 -3.43 114.58 111.61 2d1y h GLU 59 Ca 0.00 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.62 2d1y h GLU 59 Cb 0.06 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.32 2d1y h GLU 59 CO 0.00 0.42 0.29 0.34 -0.73 0.00 0.00 179.01 179.33 2d1y s ASP 60 N -6.42 6.57 0.41 1.04 -1.08 -0.65 -4.92 116.67 111.62 2d1y s ASP 60 Ca 0.02 0.48 0.08 0.00 -0.52 0.00 0.00 52.55 52.61 2d1y s ASP 60 Cb 0.10 -2.37 0.88 0.00 -1.46 0.00 0.00 42.92 40.06 2d1y s ASP 60 CO 0.70 -0.59 2.04 1.05 0.52 0.00 0.00 175.17 178.90 2d1y h GLU 61 N 8.24 0.53 -0.36 4.34 4.11 -1.87 -1.43 114.58 128.14 2d1y h GLU 61 Ca -0.25 -0.03 -0.11 0.00 0.07 0.00 0.00 59.36 59.03 2d1y h GLU 61 Cb 1.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2d1y h GLU 61 CO 0.86 0.35 -0.23 0.00 0.07 0.00 0.00 179.01 180.06 2d1y h ARG 62 N 0.54 0.72 0.00 1.06 3.08 -1.94 -2.16 114.38 115.68 2d1y h ARG 62 Ca 0.18 -0.29 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 2d1y h ARG 62 Cb 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2d1y h ARG 62 CO -0.04 0.88 -0.52 0.93 -1.07 0.00 0.00 179.97 180.15 2d1y h GLU 63 N 0.63 0.00 -0.39 0.04 5.08 -1.59 -1.51 114.58 116.82 2d1y h GLU 63 Ca 0.09 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2d1y h GLU 63 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2d1y h GLU 63 CO 0.06 0.52 -0.26 0.00 -1.00 0.00 0.00 179.01 178.33 2d1y h ARG 64 N 0.00 0.87 -0.42 2.33 3.08 -0.96 0.32 114.38 119.61 2d1y h ARG 64 Ca -0.01 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.58 2d1y h ARG 64 Cb 1.02 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 2d1y h ARG 64 CO 0.07 1.06 0.06 0.28 -1.07 0.00 0.00 179.97 180.36 2d1y h VAL 65 N 0.68 1.24 -0.85 2.04 2.07 -1.23 -2.69 116.25 117.52 2d1y h VAL 65 Ca 0.08 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 2d1y h VAL 65 Cb 0.83 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2d1y h VAL 65 CO 0.07 0.31 0.41 -0.09 0.02 0.00 0.00 177.57 178.29 2d1y h ARG 66 N 0.54 1.23 0.22 1.57 2.43 -1.15 -2.08 114.38 117.14 2d1y h ARG 66 Ca 0.13 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2d1y h ARG 66 Cb 0.38 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2d1y h ARG 66 CO 0.01 0.94 -0.10 0.35 -1.51 0.00 0.00 179.97 179.66 2d1y h PHE 67 N 1.22 -0.27 -0.72 2.20 3.57 -0.75 0.15 116.94 122.34 2d1y h PHE 67 Ca 0.29 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 2d1y h PHE 67 Cb 0.12 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2d1y h PHE 67 CO 0.01 -0.15 0.28 0.28 -2.23 0.00 0.00 178.31 176.50 2d1y h VAL 68 N -0.31 1.25 0.05 1.41 2.07 -1.40 0.11 116.25 119.42 2d1y h VAL 68 Ca -0.03 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2d1y h VAL 68 Cb 0.24 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2d1y h VAL 68 CO 0.05 0.32 -0.02 -0.33 0.02 0.00 0.00 177.57 177.61 2d1y h GLU 69 N 1.04 -0.06 -0.30 1.57 5.08 -1.24 -0.07 114.58 120.61 2d1y h GLU 69 Ca 0.24 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 2d1y h GLU 69 Cb 0.23 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2d1y h GLU 69 CO -0.02 0.08 -0.34 0.93 -1.00 0.00 0.00 179.01 178.66 2d1y h GLU 70 N -0.18 0.65 -0.30 2.33 5.08 -0.84 -1.94 114.58 119.38 2d1y h GLU 70 Ca -0.01 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 2d1y h GLU 70 Cb 0.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2d1y h GLU 70 CO 0.01 0.90 -0.09 0.00 -1.00 0.00 0.00 179.01 178.82 2d1y h ALA 71 N 1.08 0.42 -1.00 3.43 0.00 -0.73 -1.24 119.26 121.22 2d1y h ALA 71 Ca 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2d1y h ALA 71 Cb 0.84 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2d1y h ALA 71 CO 0.07 0.26 0.66 0.00 0.00 0.00 0.00 179.25 180.25 2d1y h ALA 72 N 0.78 1.29 -0.40 0.00 0.00 -0.92 0.44 119.26 120.45 2d1y h ALA 72 Ca 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2d1y h ALA 72 Cb 0.59 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2d1y h ALA 72 CO 0.03 0.63 0.06 -0.92 0.00 0.00 0.00 179.25 179.06 2d1y h TYR 73 N 1.34 0.71 -0.44 0.00 3.20 -1.14 0.93 116.97 121.57 2d1y h TYR 73 Ca 0.38 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 2d1y h TYR 73 Cb -0.11 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 2d1y h TYR 73 CO -0.00 0.70 -0.04 0.00 -1.64 0.00 0.00 178.16 177.18 2d1y h ALA 74 N 0.93 0.59 0.07 1.82 0.00 -0.67 -3.25 119.26 118.75 2d1y h ALA 74 Ca 0.12 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 2d1y h ALA 74 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2d1y h ALA 74 CO 0.01 0.42 -1.12 -0.07 0.00 0.00 0.00 179.25 178.49 2d1y h LEU 75 N 0.63 0.26 0.00 0.00 3.38 -0.90 -3.48 115.31 115.20 2d1y h LEU 75 Ca 0.12 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2d1y h LEU 75 Cb 0.55 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2d1y h LEU 75 CO 0.03 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.36 2d1y n GLY 76 N 1.39 1.73 3.54 0.83 0.00 0.31 -4.93 105.19 108.07 2d1y n GLY 76 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 2d1y n GLY 76 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d1y s ARG 77 N -0.69 0.64 -0.13 1.61 1.70 -1.24 -5.00 118.95 115.84 2d1y s ARG 77 Ca 0.00 -0.18 -0.01 0.00 -0.47 0.00 0.00 55.73 55.07 2d1y s ARG 77 Cb 0.00 0.30 0.03 0.00 -0.57 0.00 0.00 34.95 34.71 2d1y s ARG 77 CO 0.00 -0.27 -0.06 0.08 -1.08 0.00 0.00 175.30 173.97 2d1y s VAL 78 N -2.62 1.00 -0.06 4.99 1.01 -1.26 -4.11 120.40 119.35 2d1y s VAL 78 Ca 0.05 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.71 2d1y s VAL 78 Cb -0.01 -1.09 -0.07 0.00 0.00 0.00 0.00 36.38 35.21 2d1y s VAL 78 CO -0.06 0.28 0.01 0.47 0.00 0.00 0.00 175.10 175.79 2d1y n ASP 79 N 4.94 3.47 -3.93 3.32 8.00 0.63 -3.82 116.55 129.15 2d1y n ASP 79 Ca -0.12 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 2d1y n ASP 79 Cb 0.49 0.54 -0.13 0.00 -0.02 0.00 0.00 41.12 42.00 2d1y n ASP 79 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2d1y s VAL 80 N -2.15 0.20 -0.07 2.53 1.01 -0.67 -1.65 120.40 119.61 2d1y s VAL 80 Ca -0.04 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2d1y s VAL 80 Cb 0.02 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.20 2d1y s VAL 80 CO 0.24 -0.06 -0.12 -0.22 0.00 0.00 0.00 175.10 174.94 2d1y s LEU 81 N -0.38 1.63 -0.24 3.92 2.96 -0.89 -0.55 118.68 125.13 2d1y s LEU 81 Ca -0.02 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2d1y s LEU 81 Cb -0.03 -0.83 0.04 0.00 0.50 0.00 0.00 46.19 45.87 2d1y s LEU 81 CO -0.00 0.03 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.26 2d1y s VAL 82 N 0.70 2.40 -0.85 1.68 1.01 0.43 -1.24 120.40 124.53 2d1y s VAL 82 Ca -0.14 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 2d1y s VAL 82 Cb -0.16 -2.26 0.11 0.00 0.00 0.00 0.00 36.38 34.08 2d1y s VAL 82 CO 0.03 0.16 1.07 0.20 0.00 0.00 0.00 175.10 176.56 2d1y s ASN 83 N 1.22 6.50 -0.11 3.32 0.01 -0.41 -2.07 114.94 123.40 2d1y s ASN 83 Ca -0.03 -1.77 0.11 0.00 -0.71 0.00 0.00 52.86 50.47 2d1y s ASN 83 Cb -0.17 -2.40 -0.16 0.00 0.41 0.00 0.00 41.25 38.93 2d1y s ASN 83 CO -0.06 -1.16 0.07 -3.20 -1.51 0.00 0.00 177.10 171.24 2d1y n ASN 84 N 6.82 1.96 -4.76 -1.22 5.15 -1.24 -1.05 115.26 120.92 2d1y n ASN 84 Ca 0.16 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.73 2d1y n ASN 84 Cb 0.48 0.88 -0.00 0.00 -0.53 0.00 0.00 39.78 40.61 2d1y n ASN 84 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2d1y n ALA 85 N -2.41 2.25 -3.49 5.20 0.00 -1.12 -4.87 120.51 116.07 2d1y n ALA 85 Ca -0.18 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.50 2d1y n ALA 85 Cb 0.84 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.87 2d1y n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d1y s ALA 86 N -1.03 -1.78 0.24 0.00 0.00 -1.26 -4.73 121.76 113.20 2d1y s ALA 86 Ca 0.54 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.46 2d1y s ALA 86 Cb -0.49 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2d1y s ALA 86 CO 0.63 -0.66 0.13 0.96 0.00 0.00 0.00 175.76 176.82 2d1y s ILE 87 N -3.01 0.22 0.08 0.00 -4.36 -1.26 -5.06 121.20 107.81 2d1y s ILE 87 Ca 0.03 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 2d1y s ILE 87 Cb -0.01 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2d1y s ILE 87 CO -0.08 0.00 0.01 0.00 0.24 0.00 0.00 174.94 175.11 2d1y s ALA 88 N -3.91 0.64 -0.30 2.27 0.00 -1.26 -4.80 121.76 114.39 2d1y s ALA 88 Ca 0.38 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 2d1y s ALA 88 Cb 0.07 0.52 0.10 0.00 0.00 0.00 0.00 23.12 23.81 2d1y s ALA 88 CO 0.14 -0.42 0.11 0.00 0.00 0.00 0.00 175.76 175.59 2d1y s ALA 89 N -3.97 1.14 0.34 0.00 0.00 -1.26 -5.03 121.76 112.98 2d1y s ALA 89 Ca 0.14 -1.43 -0.27 0.00 0.00 0.00 0.00 51.96 50.40 2d1y s ALA 89 Cb 0.08 -1.52 -0.13 0.00 0.00 0.00 0.00 23.12 21.55 2d1y s ALA 89 CO -0.05 -1.67 1.05 -2.30 0.00 0.00 0.00 175.76 172.80 2d1y n PRO 90 N 5.01 1.49 0.00 0.00 -0.02 -1.26 -4.52 135.00 135.69 2d1y n PRO 90 Ca -0.04 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2d1y n PRO 90 Cb 0.42 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2d1y n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2d1y n GLY 91 N 1.13 3.88 3.96 -1.23 0.00 0.07 -4.66 105.19 108.34 2d1y n GLY 91 Ca 0.09 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 2d1y n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d1y s SER 92 N 0.00 3.20 0.59 1.61 1.04 -1.26 -2.35 113.70 116.53 2d1y s SER 92 Ca 0.00 -0.03 0.33 0.00 0.48 0.00 0.00 55.95 56.73 2d1y s SER 92 Cb 0.00 -0.01 1.88 0.00 0.10 0.00 0.00 66.02 67.98 2d1y s SER 92 CO 0.00 -2.65 2.24 0.00 0.98 0.00 0.00 173.24 173.81 2d1y h ALA 93 N -1.44 1.35 0.00 5.32 0.00 -1.97 -1.40 119.26 121.12 2d1y h ALA 93 Ca -0.41 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2d1y h ALA 93 Cb 1.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2d1y h ALA 93 CO 0.33 0.03 -0.50 -0.07 0.00 0.00 0.00 179.25 179.04 2d1y h LEU 94 N 0.00 0.00 0.00 0.00 3.38 -2.03 -3.36 115.31 113.30 2d1y h LEU 94 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2d1y h LEU 94 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2d1y h LEU 94 CO 0.00 0.50 -0.89 0.35 0.09 0.00 0.00 178.44 178.50 2d1y n THR 95 N -3.78 0.00 -2.15 0.22 -2.24 -0.80 -5.03 114.28 100.49 2d1y n THR 95 Ca -0.01 -0.17 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 2d1y n THR 95 Cb 0.54 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 2d1y n THR 95 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2d1y s VAL 96 N -1.99 2.81 0.13 2.28 0.11 -0.60 -4.93 120.40 118.22 2d1y s VAL 96 Ca -0.01 0.79 -0.26 0.00 -2.93 0.00 0.00 61.98 59.57 2d1y s VAL 96 Cb 0.02 -3.49 -0.07 0.00 -1.53 0.00 0.00 36.38 31.31 2d1y s VAL 96 CO 0.14 0.17 0.81 -0.13 -3.33 0.00 0.00 175.10 172.76 2d1y s ARG 97 N -1.89 4.59 0.21 1.54 0.52 -1.26 -4.96 118.95 117.70 2d1y s ARG 97 Ca 0.51 1.19 -0.10 0.00 -0.52 0.00 0.00 55.73 56.81 2d1y s ARG 97 Cb -0.38 -3.31 0.27 0.00 0.52 0.00 0.00 34.95 32.05 2d1y s ARG 97 CO 0.50 0.43 1.73 -0.07 0.02 0.00 0.00 175.30 177.91 2d1y h LEU 98 N 4.88 0.12 -1.28 2.53 3.38 -1.98 -0.51 115.31 122.46 2d1y h LEU 98 Ca -0.45 0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.62 2d1y h LEU 98 Cb 1.21 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 2d1y h LEU 98 CO 0.68 0.08 0.50 -0.65 0.09 0.00 0.00 178.44 179.14 2d1y h PRO 99 N 0.33 0.95 -0.26 1.13 0.11 -1.99 0.55 132.00 132.82 2d1y h PRO 99 Ca 0.30 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 66.17 2d1y h PRO 99 Cb 0.40 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2d1y h PRO 99 CO -0.34 0.63 -0.57 1.49 -0.21 0.00 0.00 178.00 179.00 2d1y h GLU 100 N 0.98 0.84 -0.28 1.05 4.57 -1.77 -1.91 114.58 118.07 2d1y h GLU 100 Ca 0.28 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2d1y h GLU 100 Cb -0.06 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2d1y h GLU 100 CO -0.07 1.18 0.18 2.35 -1.18 0.00 0.00 179.01 181.47 2d1y h TRP 101 N 0.63 0.36 -0.48 0.92 2.91 -0.48 -1.34 115.95 118.48 2d1y h TRP 101 Ca 0.01 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.00 2d1y h TRP 101 Cb 1.18 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.68 2d1y h TRP 101 CO 0.07 0.24 0.18 0.00 -1.03 0.00 0.00 178.44 177.90 2d1y h ARG 102 N 0.37 0.68 -0.37 2.65 3.08 -0.83 -1.83 114.38 118.14 2d1y h ARG 102 Ca 0.10 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2d1y h ARG 102 Cb -0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2d1y h ARG 102 CO -0.02 0.58 -0.26 -0.09 -1.07 0.00 0.00 179.97 179.10 2d1y h ARG 103 N 0.68 0.76 -0.64 0.04 2.43 -0.84 -0.48 114.38 116.33 2d1y h ARG 103 Ca 0.16 -0.32 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 2d1y h ARG 103 Cb 0.16 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2d1y h ARG 103 CO -0.01 0.93 0.07 0.28 -1.51 0.00 0.00 179.97 179.73 2d1y h VAL 104 N 0.65 1.26 -0.71 0.20 2.07 -0.75 -1.31 116.25 117.67 2d1y h VAL 104 Ca 0.08 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 2d1y h VAL 104 Cb 0.78 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2d1y h VAL 104 CO 0.06 0.39 0.19 -0.07 0.02 0.00 0.00 177.57 178.17 2d1y h LEU 105 N 0.98 1.06 -0.19 2.57 3.38 -1.03 0.19 115.31 122.27 2d1y h LEU 105 Ca 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2d1y h LEU 105 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2d1y h LEU 105 CO 0.02 1.00 0.07 -0.08 0.09 0.00 0.00 178.44 179.54 2d1y h GLU 106 N 1.07 0.28 -0.01 1.13 4.57 -0.74 -0.32 114.58 120.57 2d1y h GLU 106 Ca 0.23 -0.05 -0.25 0.00 -1.18 0.00 0.00 59.36 58.10 2d1y h GLU 106 Cb 0.34 -0.04 0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2d1y h GLU 106 CO -0.00 0.36 -0.96 0.28 -1.18 0.00 0.00 179.01 177.51 2d1y h VAL 107 N 0.15 1.30 0.00 0.32 2.07 -1.18 0.19 116.25 119.10 2d1y h VAL 107 Ca 0.06 -2.20 -0.14 0.00 0.82 0.00 0.00 66.70 65.25 2d1y h VAL 107 Cb 0.19 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 2d1y h VAL 107 CO -0.00 0.68 -0.94 0.78 0.02 0.00 0.00 177.57 178.10 2d1y h ASN 108 N 0.35 0.00 0.00 0.57 4.21 -1.01 -3.38 115.58 116.32 2d1y h ASN 108 Ca -0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.39 2d1y h ASN 108 Cb 1.62 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.82 2d1y h ASN 108 CO 0.19 0.55 -0.88 -0.11 -1.29 0.00 0.00 177.43 175.89 2d1y n LEU 109 N -3.07 0.15 -0.14 1.61 7.94 -0.25 -4.64 117.00 118.60 2d1y n LEU 109 Ca -0.03 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.75 2d1y n LEU 109 Cb 0.79 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.72 2d1y n LEU 109 CO 0.42 -0.03 0.63 0.74 -1.11 0.00 0.00 177.39 178.04 2d1y h THR 110 N 0.00 1.28 -0.29 1.96 2.02 -1.10 -2.79 112.91 113.99 2d1y h THR 110 Ca 0.00 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.77 2d1y h THR 110 Cb 0.88 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2d1y h THR 110 CO 0.00 0.47 0.17 0.00 0.37 0.00 0.00 175.52 176.53 2d1y h ALA 111 N 0.81 0.36 -0.56 6.16 0.00 -0.79 -0.80 119.26 124.45 2d1y h ALA 111 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2d1y h ALA 111 Cb 0.82 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2d1y h ALA 111 CO 0.07 -0.13 0.25 -1.35 0.00 0.00 0.00 179.25 178.09 2d1y h PRO 112 N 0.36 0.80 0.12 0.00 0.11 -1.76 0.16 132.00 131.78 2d1y h PRO 112 Ca 0.10 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2d1y h PRO 112 Cb 0.02 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.98 2d1y h PRO 112 CO -0.02 0.64 -0.06 1.98 -0.21 0.00 0.00 178.00 180.33 2d1y h MET 113 N 0.79 -0.15 -0.08 1.05 1.85 -1.17 -1.01 114.93 116.21 2d1y h MET 113 Ca 0.19 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.29 2d1y h MET 113 Cb 0.12 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.18 2d1y h MET 113 CO -0.02 -0.00 0.04 1.25 -0.40 0.00 0.00 176.91 177.77 2d1y h HIS 114 N -0.27 0.12 -0.62 1.39 6.17 -0.85 -2.44 115.15 118.65 2d1y h HIS 114 Ca -0.02 -0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.03 2d1y h HIS 114 Cb 0.22 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 30.08 2d1y h HIS 114 CO -0.04 0.19 0.28 -0.07 0.71 0.00 0.00 177.93 179.00 2d1y h LEU 115 N 0.01 0.80 -0.70 0.26 3.38 -0.69 -1.03 115.31 117.35 2d1y h LEU 115 Ca 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2d1y h LEU 115 Cb 0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2d1y h LEU 115 CO -0.00 0.70 0.34 0.28 0.09 0.00 0.00 178.44 179.85 2d1y h SER 116 N 0.88 0.92 -0.24 -0.43 0.02 -0.98 0.24 113.55 113.95 2d1y h SER 116 Ca 0.21 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2d1y h SER 116 Cb 0.13 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2d1y h SER 116 CO -0.02 0.79 0.02 0.00 -1.14 0.00 0.00 176.83 176.48 2d1y h ALA 117 N 1.16 0.32 -0.43 3.77 0.00 -0.95 0.71 119.26 123.84 2d1y h ALA 117 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2d1y h ALA 117 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2d1y h ALA 117 CO -0.03 0.02 0.23 -0.07 0.00 0.00 0.00 179.25 179.40 2d1y h LEU 118 N 0.20 0.55 -0.84 0.00 3.38 -0.92 -2.78 115.31 114.90 2d1y h LEU 118 Ca 0.07 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2d1y h LEU 118 Cb 0.36 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2d1y h LEU 118 CO 0.01 0.49 -0.19 0.00 0.09 0.00 0.00 178.44 178.84 2d1y h ALA 119 N 1.08 1.01 -0.78 1.53 0.00 -0.45 -2.96 119.26 118.68 2d1y h ALA 119 Ca 0.15 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2d1y h ALA 119 Cb 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2d1y h ALA 119 CO -0.02 0.59 0.52 0.00 0.00 0.00 0.00 179.25 180.34 2d1y h ALA 120 N 1.20 1.45 0.00 0.00 0.00 -0.59 0.44 119.26 121.76 2d1y h ALA 120 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2d1y h ALA 120 Cb 0.65 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2d1y h ALA 120 CO 0.05 0.50 -0.26 0.00 0.00 0.00 0.00 179.25 179.54 2d1y h ARG 121 N 1.05 0.00 0.25 0.00 3.08 -1.33 -1.35 114.38 116.08 2d1y h ARG 121 Ca 0.29 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.00 2d1y h ARG 121 Cb -0.10 0.00 0.04 0.00 0.08 0.00 0.00 29.97 29.99 2d1y h ARG 121 CO -0.07 0.26 -1.48 0.93 -1.07 0.00 0.00 179.97 178.55 2d1y h GLU 122 N 0.00 0.55 0.00 0.04 4.39 -1.22 -3.26 114.58 115.08 2d1y h GLU 122 Ca -0.00 -0.93 -0.02 0.00 0.34 0.00 0.00 59.36 58.74 2d1y h GLU 122 Cb 0.51 0.35 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2d1y h GLU 122 CO 0.03 1.45 -0.12 0.52 -1.16 0.00 0.00 179.01 179.73 2d1y h MET 123 N 0.15 0.00 -0.88 2.33 2.86 -0.58 -2.01 114.93 116.81 2d1y h MET 123 Ca -0.26 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.47 2d1y h MET 123 Cb 2.17 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.77 2d1y h MET 123 CO 0.28 0.12 0.57 -0.09 1.06 0.00 0.00 176.91 178.85 2d1y h ARG 124 N 0.00 0.89 -0.11 1.72 2.43 -1.30 -0.46 114.38 117.55 2d1y h ARG 124 Ca -0.00 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2d1y h ARG 124 Cb 0.26 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2d1y h ARG 124 CO 0.02 0.59 0.08 0.87 -1.51 0.00 0.00 179.97 180.02 2d1y h LYS 125 N 0.92 0.00 -0.37 0.20 1.57 -1.51 -2.05 116.57 115.33 2d1y h LYS 125 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2d1y h LYS 125 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2d1y h LYS 125 CO -0.16 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.05 2d1y n VAL 126 N -4.40 2.09 -0.93 0.50 0.24 -0.45 -4.96 118.33 110.43 2d1y n VAL 126 Ca -0.00 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 2d1y n VAL 126 Cb 0.20 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 2d1y n VAL 126 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d1y n GLY 127 N 0.04 0.50 0.00 7.63 0.00 -0.77 -4.90 105.19 107.69 2d1y n GLY 127 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2d1y n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d1y n GLY 128 N -2.93 0.46 0.00 -0.02 0.00 -0.31 -4.73 105.19 97.66 2d1y n GLY 128 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2d1y n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d1y n GLY 129 N 0.00 -0.66 3.20 -0.02 0.00 -0.96 -4.74 105.19 102.01 2d1y n GLY 129 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2d1y n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d1y s ALA 130 N -1.00 -0.67 -0.04 4.61 0.00 -0.66 -2.00 121.76 122.01 2d1y s ALA 130 Ca 0.00 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.31 2d1y s ALA 130 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 2d1y s ALA 130 CO 0.00 -0.23 -0.17 0.42 0.00 0.00 0.00 175.76 175.79 2d1y s ILE 131 N -1.09 1.37 -0.12 0.00 1.01 0.20 -2.08 121.20 120.48 2d1y s ILE 131 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2d1y s ILE 131 Cb -0.05 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.27 2d1y s ILE 131 CO 0.03 0.39 -0.12 -0.69 0.00 0.00 0.00 174.94 174.55 2d1y s VAL 132 N -0.05 1.36 -0.17 2.92 1.01 -0.37 -1.74 120.40 123.36 2d1y s VAL 132 Ca -0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 2d1y s VAL 132 Cb -0.10 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 2d1y s VAL 132 CO 0.01 0.42 0.18 0.20 0.00 0.00 0.00 175.10 175.91 2d1y s ASN 133 N 1.41 6.32 -0.62 3.32 0.01 0.35 -1.29 114.94 124.43 2d1y s ASN 133 Ca 0.02 0.37 -0.20 0.00 -0.71 0.00 0.00 52.86 52.33 2d1y s ASN 133 Cb -0.13 -2.11 0.09 0.00 0.41 0.00 0.00 41.25 39.51 2d1y s ASN 133 CO -0.07 0.22 0.81 -0.69 -1.51 0.00 0.00 177.10 175.85 2d1y s VAL 134 N 0.02 4.63 0.00 1.60 1.01 -0.21 -1.37 120.40 126.09 2d1y s VAL 134 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2d1y s VAL 134 Cb -0.12 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.69 2d1y s VAL 134 CO 0.01 -1.26 0.00 0.00 0.00 0.00 0.00 175.10 173.85 2d1y n ALA 135 N 6.85 0.00 -3.60 5.51 0.00 0.34 -4.85 120.51 124.76 2d1y n ALA 135 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 2d1y n ALA 135 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 2d1y n ALA 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2d1y s SER 136 N -1.00 -0.13 0.50 0.00 0.15 -1.25 -4.44 113.70 107.54 2d1y s SER 136 Ca 0.00 -0.05 0.26 0.00 0.70 0.00 0.00 55.95 56.86 2d1y s SER 136 Cb 0.00 0.17 1.34 0.00 -1.71 0.00 0.00 66.02 65.82 2d1y s SER 136 CO 0.00 -0.29 2.03 0.58 1.20 0.00 0.00 173.24 176.75 2d1y h VAL 137 N 2.00 0.60 0.00 4.45 2.07 -1.57 -0.78 116.25 123.02 2d1y h VAL 137 Ca -0.16 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2d1y h VAL 137 Cb 1.18 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2d1y h VAL 137 CO 0.25 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.98 2d1y n GLN 138 N -3.63 0.91 -0.00 1.57 6.02 -1.26 -1.37 117.38 119.62 2d1y n GLN 138 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.03 2d1y n GLN 138 Cb 0.27 -1.18 -0.08 0.00 1.02 0.00 0.00 30.24 30.28 2d1y n GLN 138 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2d1y n GLY 139 N 0.27 -0.35 0.02 1.08 0.00 -0.30 -4.30 105.19 101.61 2d1y n GLY 139 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.76 2d1y n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d1y n LEU 140 N -1.62 0.00 -4.14 0.99 4.77 -0.65 -3.80 117.00 112.55 2d1y n LEU 140 Ca -0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2d1y n LEU 140 Cb 0.25 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.32 2d1y n LEU 140 CO 0.25 0.07 -0.17 -0.36 -1.33 0.00 0.00 177.39 175.84 2d1y s PHE 141 N -2.90 0.91 0.48 -1.77 0.08 -0.47 -5.14 117.98 109.17 2d1y s PHE 141 Ca -0.06 -1.20 0.03 0.00 0.12 0.00 0.00 56.93 55.83 2d1y s PHE 141 Cb 0.09 -0.39 -0.03 0.00 -0.57 0.00 0.00 43.02 42.11 2d1y s PHE 141 CO 0.61 -0.68 0.03 0.00 -0.10 0.00 0.00 175.22 175.08 2d1y s ALA 142 N -4.10 3.81 0.16 5.36 0.00 -1.26 -4.14 121.76 121.58 2d1y s ALA 142 Ca 0.32 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 2d1y s ALA 142 Cb 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 2d1y s ALA 142 CO 0.08 -0.08 0.15 -1.83 0.00 0.00 0.00 175.76 174.09 2d1y s GLU 143 N -3.84 1.06 0.47 0.00 -1.05 -1.26 -5.04 118.70 109.04 2d1y s GLU 143 Ca 0.18 -1.38 -0.23 0.00 -0.15 0.00 0.00 54.97 53.39 2d1y s GLU 143 Cb 0.04 0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.96 2d1y s GLU 143 CO 0.09 -0.34 1.18 -0.65 0.95 0.00 0.00 175.26 176.49 2d1y s GLN 144 N -4.04 3.68 -1.49 -4.83 -0.21 -1.26 -3.89 119.66 107.62 2d1y s GLN 144 Ca 0.24 1.81 -0.07 0.00 0.02 0.00 0.00 55.36 57.35 2d1y s GLN 144 Cb 0.06 -2.37 0.06 0.00 1.00 0.00 0.00 33.01 31.75 2d1y s GLN 144 CO 0.03 -0.63 0.68 0.39 -2.12 0.00 0.00 175.29 173.64 2d1y n GLU 145 N -0.58 -4.04 -2.77 2.91 1.02 -1.26 -4.87 120.64 111.04 2d1y n GLU 145 Ca 0.08 0.48 -0.01 0.00 -0.02 0.00 0.00 57.16 57.69 2d1y n GLU 145 Cb 0.48 -4.98 0.08 0.00 -0.02 0.00 0.00 31.44 27.00 2d1y n GLU 145 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2d1y n ASN 146 N -2.89 0.25 -0.10 1.62 5.15 -1.13 -0.75 115.26 117.41 2d1y n ASN 146 Ca -0.14 -2.11 -0.06 0.00 -0.60 0.00 0.00 54.58 51.67 2d1y n ASN 146 Cb 0.60 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 2d1y n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2d1y h ALA 147 N 1.92 0.21 -0.59 5.20 0.00 -1.73 -0.90 119.26 123.37 2d1y h ALA 147 Ca -0.27 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2d1y h ALA 147 Cb 1.28 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 2d1y h ALA 147 CO 0.02 -0.47 0.37 0.00 0.00 0.00 0.00 179.25 179.17 2d1y h ALA 148 N 1.32 0.75 -0.21 0.00 0.00 -1.80 0.32 119.26 119.64 2d1y h ALA 148 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2d1y h ALA 148 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2d1y h ALA 148 CO -0.37 0.20 0.03 -0.92 0.00 0.00 0.00 179.25 178.20 2d1y h TYR 149 N 0.79 0.37 -0.38 0.00 3.20 -1.79 -1.09 116.97 118.07 2d1y h TYR 149 Ca 0.21 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2d1y h TYR 149 Cb -0.06 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 2d1y h TYR 149 CO -0.03 0.49 0.25 -0.91 -1.64 0.00 0.00 178.16 176.32 2d1y h ASN 150 N 0.15 0.44 -0.19 -2.11 -0.26 -0.93 -0.56 115.58 112.12 2d1y h ASN 150 Ca 0.06 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 2d1y h ASN 150 Cb 0.32 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 2d1y h ASN 150 CO 0.00 0.33 0.03 0.00 -1.06 0.00 0.00 177.43 176.73 2d1y h ALA 151 N 1.13 0.25 -0.56 -0.83 0.00 -0.90 -1.19 119.26 117.17 2d1y h ALA 151 Ca 0.14 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2d1y h ALA 151 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2d1y h ALA 151 CO -0.03 -0.07 0.10 0.66 0.00 0.00 0.00 179.25 179.91 2d1y h SER 152 N 0.10 0.89 0.29 0.00 4.64 -1.10 -0.98 113.55 117.39 2d1y h SER 152 Ca 0.06 -0.26 -0.11 0.00 -0.47 0.00 0.00 61.79 61.01 2d1y h SER 152 Cb 0.32 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2d1y h SER 152 CO 0.00 0.92 -0.45 0.11 -0.87 0.00 0.00 176.83 176.54 2d1y h LYS 153 N 0.82 0.21 -0.59 4.77 1.79 -1.10 0.07 116.57 122.55 2d1y h LYS 153 Ca 0.17 -0.11 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 2d1y h LYS 153 Cb 0.41 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 2d1y h LYS 153 CO 0.01 0.63 -0.02 0.78 -1.08 0.00 0.00 179.45 179.76 2d1y h GLY 154 N 1.30 1.14 1.42 3.86 0.00 -0.92 -1.52 103.07 108.34 2d1y h GLY 154 Ca 0.01 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.39 2d1y h GLY 154 CO 0.07 0.79 -0.15 -1.33 0.00 0.00 0.00 176.54 175.91 2d1y h GLY 155 N 0.95 0.74 1.71 4.60 0.00 -0.73 -2.66 103.07 107.68 2d1y h GLY 155 Ca 0.16 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 2d1y h GLY 155 CO 0.03 0.52 -0.15 -2.00 0.00 0.00 0.00 176.54 174.94 2d1y h LEU 156 N 0.61 0.34 -0.16 3.11 5.85 -0.57 0.07 115.31 124.56 2d1y h LEU 156 Ca 0.10 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2d1y h LEU 156 Cb 0.61 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2d1y h LEU 156 CO 0.04 0.52 0.05 0.58 -0.34 0.00 0.00 178.44 179.29 2d1y h VAL 157 N 0.33 1.19 0.00 1.05 2.07 -0.94 -1.56 116.25 118.38 2d1y h VAL 157 Ca 0.06 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 2d1y h VAL 157 Cb 0.47 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2d1y h VAL 157 CO 0.03 0.18 -0.29 -1.13 0.02 0.00 0.00 177.57 176.38 2d1y h ASN 158 N 0.07 0.00 0.10 0.57 -1.24 -1.32 -2.81 115.58 110.95 2d1y h ASN 158 Ca 0.05 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.97 2d1y h ASN 158 Cb 0.24 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 2d1y h ASN 158 CO -0.00 0.29 -0.31 0.25 -1.29 0.00 0.00 177.43 176.38 2d1y h LEU 159 N 0.00 0.32 -0.94 0.34 5.85 -0.83 -1.52 115.31 118.53 2d1y h LEU 159 Ca -0.00 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2d1y h LEU 159 Cb 1.07 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 2d1y h LEU 159 CO 0.04 0.62 0.47 0.74 -0.34 0.00 0.00 178.44 179.97 2d1y h THR 160 N 0.28 1.25 -0.36 1.05 2.02 -1.01 0.16 112.91 116.30 2d1y h THR 160 Ca 0.04 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 2d1y h THR 160 Cb 0.68 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2d1y h THR 160 CO 0.05 0.29 -0.09 0.03 0.37 0.00 0.00 175.52 176.17 2d1y h ARG 161 N 1.22 0.69 -0.08 6.66 3.08 -1.39 -1.30 114.38 123.26 2d1y h ARG 161 Ca 0.31 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2d1y h ARG 161 Cb 0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2d1y h ARG 161 CO -0.05 0.85 0.05 1.03 -1.07 0.00 0.00 179.97 180.78 2d1y h SER 162 N 0.48 0.10 -0.85 7.04 0.87 -0.72 -1.92 113.55 118.55 2d1y h SER 162 Ca 0.09 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2d1y h SER 162 Cb 0.59 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 2d1y h SER 162 CO 0.04 0.09 0.53 -0.07 -0.53 0.00 0.00 176.83 176.88 2d1y h LEU 163 N 0.09 1.01 -0.78 2.23 3.38 -0.66 -1.16 115.31 119.41 2d1y h LEU 163 Ca 0.03 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2d1y h LEU 163 Cb 0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2d1y h LEU 163 CO -0.01 0.76 0.51 0.00 0.09 0.00 0.00 178.44 179.80 2d1y h ALA 164 N 1.29 1.00 -0.18 1.53 0.00 -0.95 0.13 119.26 122.07 2d1y h ALA 164 Ca 0.31 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2d1y h ALA 164 Cb -0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2d1y h ALA 164 CO -0.06 0.38 -0.10 -0.07 0.00 0.00 0.00 179.25 179.39 2d1y h LEU 165 N 1.04 0.40 -0.37 0.00 3.38 -0.85 -2.74 115.31 116.17 2d1y h LEU 165 Ca 0.29 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2d1y h LEU 165 Cb -0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2d1y h LEU 165 CO -0.08 0.74 -0.18 0.44 0.09 0.00 0.00 178.44 179.45 2d1y h ASP 166 N 0.07 0.00 0.09 -0.43 3.32 -1.03 -3.28 116.42 115.14 2d1y h ASP 166 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2d1y h ASP 166 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2d1y h ASP 166 CO 0.03 0.18 -0.74 0.18 -1.72 0.00 0.00 179.24 177.17 2d1y n LEU 167 N -3.18 1.19 -0.36 1.55 4.77 0.43 -4.28 117.00 117.12 2d1y n LEU 167 Ca 0.02 -0.48 0.06 0.00 -0.03 0.00 0.00 56.01 55.58 2d1y n LEU 167 Cb 0.55 -0.04 0.23 0.00 -2.33 0.00 0.00 43.42 41.82 2d1y n LEU 167 CO 0.35 0.26 1.25 0.00 -1.33 0.00 0.00 177.39 177.92 2d1y h ALA 168 N 3.28 1.50 -0.30 -1.18 0.00 -1.55 -0.68 119.26 120.33 2d1y h ALA 168 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2d1y h ALA 168 Cb 0.57 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2d1y h ALA 168 CO 0.00 0.29 0.23 -1.35 0.00 0.00 0.00 179.25 178.42 2d1y h PRO 169 N 1.05 0.00 -0.55 0.00 0.11 -1.80 0.21 132.00 131.02 2d1y h PRO 169 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2d1y h PRO 169 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 2d1y h PRO 169 CO -0.23 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.84 2d1y n LEU 170 N -4.35 2.96 -3.46 2.35 4.77 -0.31 -4.92 117.00 114.04 2d1y n LEU 170 Ca 0.04 -1.48 -0.22 0.00 -0.03 0.00 0.00 56.01 54.33 2d1y n LEU 170 Cb 0.39 -0.37 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 2d1y n LEU 170 CO 0.35 0.72 0.21 0.54 -1.33 0.00 0.00 177.39 177.87 2d1y n ARG 171 N 1.06 -7.43 -4.17 3.23 1.74 0.74 -3.91 116.66 107.92 2d1y n ARG 171 Ca 0.18 0.80 -0.34 0.00 -0.77 0.00 0.00 57.85 57.73 2d1y n ARG 171 Cb 0.48 -5.76 -0.15 0.00 -1.02 0.00 0.00 32.46 26.00 2d1y n ARG 171 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2d1y s ILE 172 N -3.32 2.65 0.17 0.55 1.01 -0.91 -2.26 121.20 119.09 2d1y s ILE 172 Ca 0.44 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 2d1y s ILE 172 Cb -0.20 -2.15 -0.07 0.00 0.01 0.00 0.00 42.46 40.05 2d1y s ILE 172 CO 0.70 0.50 0.54 -0.13 0.00 0.00 0.00 174.94 176.55 2d1y s ARG 173 N 1.22 3.92 -0.07 2.79 0.52 -0.85 -3.75 118.95 122.72 2d1y s ARG 173 Ca 0.02 0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 55.64 2d1y s ARG 173 Cb -0.14 -2.85 0.03 0.00 0.52 0.00 0.00 34.95 32.51 2d1y s ARG 173 CO -0.06 0.43 -0.01 0.08 0.02 0.00 0.00 175.30 175.76 2d1y s VAL 174 N -1.57 0.48 0.25 3.52 1.01 -1.26 -0.63 120.40 122.20 2d1y s VAL 174 Ca 0.40 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2d1y s VAL 174 Cb -0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2d1y s VAL 174 CO 0.20 0.27 0.14 0.20 0.00 0.00 0.00 175.10 175.90 2d1y s ASN 175 N 1.77 0.84 0.04 3.32 0.01 -0.71 0.48 114.94 120.69 2d1y s ASN 175 Ca 0.02 -1.46 0.01 0.00 -0.71 0.00 0.00 52.86 50.73 2d1y s ASN 175 Cb -0.13 0.34 -0.03 0.00 0.41 0.00 0.00 41.25 41.85 2d1y s ASN 175 CO -0.05 -0.84 -0.06 0.00 -1.51 0.00 0.00 177.10 174.64 2d1y s ALA 176 N -3.88 0.50 0.05 0.60 0.00 -0.18 -0.50 121.76 118.35 2d1y s ALA 176 Ca 0.38 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.55 2d1y s ALA 176 Cb 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2d1y s ALA 176 CO 0.15 -0.12 -0.06 0.14 0.00 0.00 0.00 175.76 175.87 2d1y s VAL 177 N -1.93 3.68 -0.56 0.00 -7.23 -0.47 -0.60 120.40 113.30 2d1y s VAL 177 Ca -0.07 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 2d1y s VAL 177 Cb -0.06 -2.67 0.15 0.00 0.56 0.00 0.00 36.38 34.36 2d1y s VAL 177 CO -0.02 0.26 0.35 0.00 -0.31 0.00 0.00 175.10 175.38 2d1y s ALA 178 N -1.13 2.98 0.57 1.32 0.00 0.63 -0.50 121.76 125.62 2d1y s ALA 178 Ca 0.20 -3.22 -0.19 0.00 0.00 0.00 0.00 51.96 48.75 2d1y s ALA 178 Cb -0.11 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2d1y s ALA 178 CO 0.12 -2.05 1.18 -2.14 0.00 0.00 0.00 175.76 172.86 2d1y s PRO 179 N -0.52 3.12 0.00 0.00 0.02 -1.26 -1.65 135.00 134.71 2d1y s PRO 179 Ca 0.22 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.00 2d1y s PRO 179 Cb -0.14 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.41 2d1y s PRO 179 CO -0.09 -1.07 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 2d1y n GLY 180 N 0.39 1.70 3.65 0.52 0.00 -0.56 -2.07 105.19 108.82 2d1y n GLY 180 Ca 0.13 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 2d1y n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d1y s ALA 181 N -2.86 3.46 -0.07 4.61 0.00 -1.26 -4.95 121.76 120.69 2d1y s ALA 181 Ca 0.00 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.78 2d1y s ALA 181 Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 2d1y s ALA 181 CO 0.00 -1.66 -0.19 0.42 0.00 0.00 0.00 175.76 174.33 2d1y s ILE 182 N 4.65 2.61 -0.78 0.00 -1.09 -1.26 -1.35 121.20 123.98 2d1y s ILE 182 Ca 0.74 -0.87 -0.22 0.00 -2.23 0.00 0.00 60.65 58.07 2d1y s ILE 182 Cb -0.31 -2.01 -0.16 0.00 -1.58 0.00 0.00 42.46 38.41 2d1y s ILE 182 CO 0.30 0.57 1.92 0.00 -1.23 0.00 0.00 174.94 176.49 2d1y n ALA 183 N 2.83 3.09 -2.70 9.38 0.00 0.19 -4.71 120.51 128.59 2d1y n ALA 183 Ca -0.17 -3.27 -0.21 0.00 0.00 0.00 0.00 53.44 49.78 2d1y n ALA 183 Cb 0.52 -3.63 -0.03 0.00 0.00 0.00 0.00 19.45 16.31 2d1y n ALA 183 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2d1y s THR 184 N 5.62 4.22 0.34 0.00 -4.23 -1.26 -4.68 115.64 115.65 2d1y s THR 184 Ca 0.59 -1.29 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 2d1y s THR 184 Cb 0.13 -3.40 0.29 0.00 1.34 0.00 0.00 72.50 70.87 2d1y s THR 184 CO 0.13 -0.27 1.92 -0.33 -0.54 0.00 0.00 174.62 175.53 2d1y h GLU 185 N 1.31 0.81 -0.70 3.99 5.08 -1.97 0.15 114.58 123.25 2d1y h GLU 185 Ca -0.47 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2d1y h GLU 185 Cb 1.24 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 2d1y h GLU 185 CO 0.59 0.53 0.43 0.00 -1.00 0.00 0.00 179.01 179.57 2d1y h ALA 186 N 1.57 0.91 -0.23 3.43 0.00 -1.95 0.44 119.26 123.43 2d1y h ALA 186 Ca 0.37 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.06 2d1y h ALA 186 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2d1y h ALA 186 CO -0.14 0.21 -0.63 0.28 0.00 0.00 0.00 179.25 178.97 2d1y h VAL 187 N 0.85 1.28 0.00 0.00 2.07 -1.49 -2.62 116.25 116.34 2d1y h VAL 187 Ca 0.28 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 2d1y h VAL 187 Cb 0.02 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2d1y h VAL 187 CO -0.11 0.59 -0.07 -0.07 0.02 0.00 0.00 177.57 177.93 2d1y h LEU 188 N 0.59 0.00 0.00 2.57 3.38 -0.20 -1.14 115.31 120.51 2d1y h LEU 188 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2d1y h LEU 188 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2d1y h LEU 188 CO 0.14 0.07 -0.12 -0.08 0.09 0.00 0.00 178.44 178.53 2d1y h GLU 189 N 0.00 0.08 -0.81 1.13 4.81 -0.82 -2.71 114.58 116.25 2d1y h GLU 189 Ca -0.00 -0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.24 2d1y h GLU 189 Cb 0.12 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 2d1y h GLU 189 CO 0.01 0.86 0.45 0.00 -0.73 0.00 0.00 179.01 179.59 2d1y h ALA 190 N 0.23 1.15 -0.15 2.92 0.00 -1.08 -1.75 119.26 120.58 2d1y h ALA 190 Ca -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2d1y h ALA 190 Cb 0.90 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2d1y h ALA 190 CO 0.02 0.05 0.08 0.82 0.00 0.00 0.00 179.25 180.23 2d1y h ILE 191 N 0.74 1.11 0.00 0.00 2.04 -1.29 -3.52 117.51 116.60 2d1y h ILE 191 Ca 0.40 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 65.79 2d1y h ILE 191 Cb 0.40 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 2d1y h ILE 191 CO -0.26 0.10 0.27 0.00 0.00 0.00 0.00 178.15 178.26 2d1y n ALA 192 N -2.19 4.55 0.00 1.87 0.00 -0.66 -5.12 120.51 118.97 2d1y n ALA 192 Ca -0.04 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.09 2d1y n ALA 192 Cb 0.08 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.15 2d1y n ALA 192 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2d1y n ARG 201 N 2.85 0.00 -0.35 0.00 3.00 -1.26 -5.08 116.66 115.81 2d1y n ARG 201 Ca 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.16 2d1y n ARG 201 Cb 0.54 0.00 0.14 0.00 0.00 0.00 0.00 32.46 33.14 2d1y n ARG 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2d1y h ARG 202 N 0.00 1.14 -0.45 -0.14 3.08 -2.03 -0.70 114.38 115.27 2d1y h ARG 202 Ca 0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2d1y h ARG 202 Cb 0.00 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 2d1y h ARG 202 CO 0.00 0.75 0.20 -0.44 -1.07 0.00 0.00 179.97 179.41 2d1y h ASP 203 N 1.17 0.61 -0.33 7.04 3.32 -2.04 0.10 116.42 126.29 2d1y h ASP 203 Ca 0.39 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 2d1y h ASP 203 Cb 0.07 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2d1y h ASP 203 CO -0.14 0.59 0.04 -0.50 -1.72 0.00 0.00 179.24 177.50 2d1y h TRP 204 N 0.59 0.68 -0.41 4.55 4.06 -1.86 -2.51 115.95 121.06 2d1y h TRP 204 Ca 0.15 -0.07 -0.15 0.00 2.06 0.00 0.00 58.89 60.88 2d1y h TRP 204 Cb 0.15 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 2d1y h TRP 204 CO -0.00 0.63 -0.35 0.93 -3.56 0.00 0.00 178.44 176.08 2d1y h GLU 205 N 0.63 0.95 0.00 0.49 5.08 -0.73 -2.79 114.58 118.22 2d1y h GLU 205 Ca 0.13 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2d1y h GLU 205 Cb 0.34 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2d1y h GLU 205 CO 0.01 1.15 0.00 -0.25 -1.00 0.00 0.00 179.01 178.91 2d1y n ASP 206 N -4.07 0.00 0.11 1.42 8.00 -0.01 -2.12 116.55 119.87 2d1y n ASP 206 Ca -0.02 -0.30 0.13 0.00 0.71 0.00 0.00 54.79 55.31 2d1y n ASP 206 Cb 0.53 -0.09 0.41 0.00 -0.02 0.00 0.00 41.12 41.94 2d1y n ASP 206 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2d1y n LEU 207 N -1.09 0.81 -4.64 0.64 4.77 -1.05 -4.80 117.00 111.65 2d1y n LEU 207 Ca 0.10 0.58 -0.31 0.00 -0.03 0.00 0.00 56.01 56.36 2d1y n LEU 207 Cb 0.08 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 2d1y n LEU 207 CO 0.10 -0.21 -0.37 -1.00 -1.33 0.00 0.00 177.39 174.58 2d1y s HIS 208 N -3.12 2.91 0.40 -1.77 3.76 -0.90 -4.07 115.29 112.51 2d1y s HIS 208 Ca 0.10 -0.05 0.10 0.00 -0.15 0.00 0.00 55.06 55.06 2d1y s HIS 208 Cb 0.12 -1.55 0.83 0.00 1.11 0.00 0.00 32.58 33.10 2d1y s HIS 208 CO 0.58 0.43 1.95 0.00 -0.85 0.00 0.00 174.74 176.86 2d1y h ALA 209 N 3.90 1.57 0.00 -1.40 0.00 -0.84 -1.20 119.26 121.28 2d1y h ALA 209 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2d1y h ALA 209 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2d1y h ALA 209 CO 0.56 0.31 0.00 1.28 0.00 0.00 0.00 179.25 181.40 2d1y n LEU 210 N -4.32 0.00 -3.87 0.00 4.77 -0.77 -4.92 117.00 107.90 2d1y n LEU 210 Ca -0.01 0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 55.82 2d1y n LEU 210 Cb 0.23 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2d1y n LEU 210 CO 0.37 -0.02 -0.18 0.54 -1.33 0.00 0.00 177.39 176.78 2d1y n ARG 211 N -1.11 -3.11 -3.53 3.23 1.74 -0.45 -4.97 116.66 108.45 2d1y n ARG 211 Ca 0.17 0.44 -0.07 0.00 -0.77 0.00 0.00 57.85 57.62 2d1y n ARG 211 Cb 0.14 -4.52 -0.02 0.00 -1.02 0.00 0.00 32.46 27.03 2d1y n ARG 211 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2d1y s ARG 212 N -6.37 0.65 0.46 5.56 1.70 -1.17 -4.84 118.95 114.93 2d1y s ARG 212 Ca 0.09 -0.23 -0.18 0.00 -0.47 0.00 0.00 55.73 54.95 2d1y s ARG 212 Cb -0.03 0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 2d1y s ARG 212 CO 0.87 -0.28 0.93 -0.51 -1.08 0.00 0.00 175.30 175.24 2d1y s LEU 213 N -2.33 3.80 0.64 -1.89 1.43 -1.26 -4.81 118.68 114.26 2d1y s LEU 213 Ca 0.06 1.56 -0.09 0.00 -1.03 0.00 0.00 54.13 54.63 2d1y s LEU 213 Cb -0.01 -4.45 -0.00 0.00 0.03 0.00 0.00 46.19 41.76 2d1y s LEU 213 CO -0.07 -0.45 1.00 -0.83 0.23 0.00 0.00 176.35 176.22 2d1y s GLY 214 N -2.65 1.61 0.02 -3.19 0.00 -0.46 -4.79 107.32 97.86 2d1y s GLY 214 Ca 0.59 -0.42 -0.02 0.00 0.00 0.00 0.00 44.72 44.88 2d1y s GLY 214 CO 0.23 -0.11 0.20 0.54 0.00 0.00 0.00 173.10 173.95 2d1y s LYS 215 N -5.16 3.44 0.34 2.90 1.02 -1.26 -0.64 119.74 120.38 2d1y s LYS 215 Ca 0.55 -0.36 0.07 0.00 0.02 0.00 0.00 55.97 56.25 2d1y s LYS 215 Cb -0.11 -3.07 0.76 0.00 -0.52 0.00 0.00 37.83 34.90 2d1y s LYS 215 CO 0.50 0.65 1.87 -1.35 -0.92 0.00 0.00 175.35 176.09 2d1y h PRO 216 N 3.50 0.73 0.00 -1.68 0.11 -1.92 -0.10 132.00 132.64 2d1y h PRO 216 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2d1y h PRO 216 Cb 1.18 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2d1y h PRO 216 CO 0.72 0.48 -0.00 0.93 -0.21 0.00 0.00 178.00 179.92 2d1y h GLU 217 N 0.75 0.00 -0.02 1.05 3.07 -1.93 -1.60 114.58 115.91 2d1y h GLU 217 Ca 0.44 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.17 2d1y h GLU 217 Cb 0.63 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 2d1y h GLU 217 CO -0.20 0.00 -0.63 0.93 -1.40 0.00 0.00 179.01 177.71 2d1y h GLU 218 N 0.00 0.08 -0.08 2.33 5.08 -1.41 -2.13 114.58 118.45 2d1y h GLU 218 Ca -0.00 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 2d1y h GLU 218 Cb 0.01 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.28 2d1y h GLU 218 CO 0.00 0.68 -0.91 0.28 -1.00 0.00 0.00 179.01 178.06 2d1y h VAL 219 N 0.05 1.28 -0.88 3.13 2.07 -1.28 -3.21 116.25 117.41 2d1y h VAL 219 Ca -0.01 -2.10 0.06 0.00 0.82 0.00 0.00 66.70 65.47 2d1y h VAL 219 Cb 1.12 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.99 2d1y h VAL 219 CO 0.09 0.66 0.55 0.00 0.02 0.00 0.00 177.57 178.89 2d1y h ALA 220 N 0.49 1.21 -0.59 1.67 0.00 -1.13 -1.61 119.26 119.29 2d1y h ALA 220 Ca -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2d1y h ALA 220 Cb 1.55 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2d1y h ALA 220 CO 0.18 0.32 0.25 0.93 0.00 0.00 0.00 179.25 180.93 2d1y h GLU 221 N 1.02 0.85 -0.41 0.00 4.39 -1.41 0.27 114.58 119.29 2d1y h GLU 221 Ca 0.38 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.82 2d1y h GLU 221 Cb 0.14 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2d1y h GLU 221 CO -0.16 0.69 -0.26 0.00 -1.16 0.00 0.00 179.01 178.12 2d1y h ALA 222 N 1.43 0.76 -0.27 3.43 0.00 -1.36 -1.75 119.26 121.50 2d1y h ALA 222 Ca 0.20 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2d1y h ALA 222 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2d1y h ALA 222 CO -0.02 0.66 0.07 0.28 0.00 0.00 0.00 179.25 180.24 2d1y h VAL 223 N 0.74 1.21 -0.89 0.00 2.07 -0.66 -1.93 116.25 116.79 2d1y h VAL 223 Ca 0.09 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2d1y h VAL 223 Cb 0.80 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 2d1y h VAL 223 CO 0.07 0.22 0.53 -0.07 0.02 0.00 0.00 177.57 178.34 2d1y h LEU 224 N 0.27 1.08 0.09 2.57 4.07 -0.86 -0.85 115.31 121.68 2d1y h LEU 224 Ca 0.08 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 2d1y h LEU 224 Cb 0.27 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2d1y h LEU 224 CO -0.00 0.84 -0.04 0.15 -1.08 0.00 0.00 178.44 178.31 2d1y h PHE 225 N 1.24 -0.11 0.00 1.13 3.57 -1.08 -1.60 116.94 120.08 2d1y h PHE 225 Ca 0.32 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 2d1y h PHE 225 Cb -0.03 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2d1y h PHE 225 CO 0.01 -0.04 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.86 2d1y h LEU 226 N -0.16 0.00 0.00 0.59 3.38 -1.03 -1.69 115.31 116.40 2d1y h LEU 226 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2d1y h LEU 226 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2d1y h LEU 226 CO 0.02 0.12 -0.33 0.00 0.09 0.00 0.00 178.44 178.35 2d1y n ALA 227 N -2.34 2.92 -2.17 1.53 0.00 -0.35 -4.82 120.51 115.27 2d1y n ALA 227 Ca -0.02 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 2d1y n ALA 227 Cb 0.22 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.43 2d1y n ALA 227 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2d1y s SER 228 N -3.44 5.63 0.14 0.00 1.04 -0.64 -4.75 113.70 111.69 2d1y s SER 228 Ca 0.11 0.42 0.20 0.00 0.48 0.00 0.00 55.95 57.16 2d1y s SER 228 Cb 0.16 -1.51 0.82 0.00 0.10 0.00 0.00 66.02 65.60 2d1y s SER 228 CO 0.64 -0.93 1.61 1.21 0.98 0.00 0.00 173.24 176.75 2d1y n GLU 229 N -2.34 0.11 0.26 4.02 2.13 -1.26 -1.93 120.64 121.62 2d1y n GLU 229 Ca 0.04 0.33 0.12 0.00 0.66 0.00 0.00 57.16 58.30 2d1y n GLU 229 Cb 0.58 -1.70 0.69 0.00 0.27 0.00 0.00 31.44 31.28 2d1y n GLU 229 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2d1y h LYS 230 N 0.00 0.00 -0.94 5.31 1.79 -1.94 -1.80 116.57 118.99 2d1y h LYS 230 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2d1y h LYS 230 Cb 0.33 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.69 2d1y h LYS 230 CO 0.00 0.13 0.62 0.00 -1.08 0.00 0.00 179.45 179.12 2d1y n ALA 231 N -2.30 5.69 0.24 3.86 0.00 -0.81 -4.74 120.51 122.45 2d1y n ALA 231 Ca -0.02 -3.10 0.18 0.00 0.00 0.00 0.00 53.44 50.50 2d1y n ALA 231 Cb 0.25 -1.45 0.87 0.00 0.00 0.00 0.00 19.45 19.12 2d1y n ALA 231 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2d1y h SER 232 N 1.30 0.00 -0.31 0.00 4.64 -1.48 -0.54 113.55 117.16 2d1y h SER 232 Ca 0.59 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.85 2d1y h SER 232 Cb 2.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.24 2d1y h SER 232 CO 1.17 0.00 0.01 0.33 -0.87 0.00 0.00 176.83 177.47 2d1y n PHE 233 N -3.44 1.06 -3.99 4.77 7.35 -1.26 -4.92 117.46 117.03 2d1y n PHE 233 Ca 0.01 -1.08 -0.34 0.00 -0.76 0.00 0.00 57.45 55.28 2d1y n PHE 233 Cb 0.34 -0.38 -0.15 0.00 0.35 0.00 0.00 39.48 39.65 2d1y n PHE 233 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 2d1y s ILE 234 N -2.94 2.73 -0.11 -2.13 1.01 -0.21 -5.08 121.20 114.46 2d1y s ILE 234 Ca 0.43 -1.07 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 2d1y s ILE 234 Cb 0.36 -2.39 0.05 0.00 0.01 0.00 0.00 42.46 40.49 2d1y s ILE 234 CO 0.07 0.21 0.50 0.28 0.00 0.00 0.00 174.94 176.00 2d1y s THR 235 N 1.30 0.02 -0.10 2.92 -1.32 -1.26 -4.70 115.64 112.50 2d1y s THR 235 Ca -0.00 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 2d1y s THR 235 Cb -0.17 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 2d1y s THR 235 CO -0.05 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 2d1y n GLY 236 N 1.96 0.48 3.90 6.08 0.00 0.18 -4.95 105.19 112.83 2d1y n GLY 236 Ca -0.17 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 2d1y n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d1y s ALA 237 N -1.92 3.81 -0.29 4.61 0.00 -1.26 -4.69 121.76 122.02 2d1y s ALA 237 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2d1y s ALA 237 Cb 0.00 -2.11 0.06 0.00 0.00 0.00 0.00 23.12 21.07 2d1y s ALA 237 CO 0.00 0.68 -0.03 0.42 0.00 0.00 0.00 175.76 176.83 2d1y s ILE 238 N -1.63 2.65 -0.36 0.00 -1.09 -1.26 -1.01 121.20 118.50 2d1y s ILE 238 Ca 0.40 -1.54 -0.12 0.00 -2.23 0.00 0.00 60.65 57.16 2d1y s ILE 238 Cb -0.12 -2.56 0.01 0.00 -1.58 0.00 0.00 42.46 38.21 2d1y s ILE 238 CO 0.24 -0.11 0.22 -0.22 -1.23 0.00 0.00 174.94 173.84 2d1y s LEU 239 N 1.18 4.64 0.25 2.97 2.96 0.23 -4.92 118.68 125.99 2d1y s LEU 239 Ca -0.06 -0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 52.76 2d1y s LEU 239 Cb -0.20 -2.06 -0.09 0.00 0.50 0.00 0.00 46.19 44.34 2d1y s LEU 239 CO -0.03 -0.34 1.18 -2.84 -1.32 0.00 0.00 176.35 173.00 2d1y s PRO 240 N 1.62 4.53 -0.56 0.98 0.02 -1.26 -0.27 135.00 140.05 2d1y s PRO 240 Ca 0.04 1.91 0.06 0.00 0.02 0.00 0.00 61.00 63.03 2d1y s PRO 240 Cb -0.18 -3.19 0.22 0.00 0.02 0.00 0.00 34.50 31.36 2d1y s PRO 240 CO 0.08 0.01 0.56 0.28 -0.33 0.00 0.00 177.00 177.60 2d1y n VAL 241 N 1.69 0.85 -1.55 3.83 0.31 -0.66 -4.83 118.33 117.98 2d1y n VAL 241 Ca 0.01 -4.55 0.05 0.00 -0.01 0.00 0.00 64.34 59.85 2d1y n VAL 241 Cb 0.44 -2.01 0.07 0.00 -0.91 0.00 0.00 33.84 31.43 2d1y n VAL 241 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2d1y n ASP 242 N 1.58 1.13 -1.88 4.52 5.68 -1.26 -1.49 116.55 124.82 2d1y n ASP 242 Ca 0.25 -2.52 -0.18 0.00 -0.50 0.00 0.00 54.79 51.84 2d1y n ASP 242 Cb 0.44 -0.31 -0.05 0.00 -1.14 0.00 0.00 41.12 40.06 2d1y n ASP 242 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2d1y n GLY 243 N -0.69 0.80 0.84 6.12 0.00 -1.26 -1.54 105.19 109.45 2d1y n GLY 243 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2d1y n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d1y n GLY 244 N -0.58 0.72 0.32 -0.02 0.00 -1.26 -0.31 105.19 104.07 2d1y n GLY 244 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 2d1y n GLY 244 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2d1y h MET 245 N 3.89 -0.30 0.00 1.61 1.85 -1.42 -1.77 114.93 118.79 2d1y h MET 245 Ca 0.00 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 2d1y h MET 245 Cb 0.00 0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.10 2d1y h MET 245 CO 0.00 -0.20 0.00 0.25 -0.40 0.00 0.00 176.91 176.56 2d1y n THR 246 N -5.41 0.00 0.65 -0.77 -2.24 -1.26 -2.98 114.28 102.27 2d1y n THR 246 Ca -0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 2d1y n THR 246 Cb 0.32 -0.08 0.14 0.00 -2.10 0.00 0.00 70.33 68.62 2d1y n THR 246 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d1y n ALA 247 N -0.53 3.18 -3.55 6.98 0.00 -0.66 -4.97 120.51 120.95 2d1y n ALA 247 Ca 0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 2d1y n ALA 247 Cb 0.01 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 2d1y n ALA 247 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2d1y s SER 248 N -3.91 -0.41 0.00 0.00 0.15 -1.16 -5.18 113.70 103.19 2d1y s SER 248 Ca 0.06 -0.14 0.17 0.00 0.70 0.00 0.00 55.95 56.74 2d1y s SER 248 Cb 0.14 0.53 0.13 0.00 -1.71 0.00 0.00 66.02 65.12 2d1y s SER 248 CO 0.74 -0.90 1.02 0.49 1.20 0.00 0.00 173.24 175.79