#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8m n THR 2 N 0.00 -5.19 -2.31 2.03 -2.24 -1.26 -4.76 114.28 100.55 1y8m n THR 2 Ca 0.00 -0.74 -0.35 0.00 -2.27 0.00 0.00 64.05 60.69 1y8m n THR 2 Cb 0.00 -3.92 -0.03 0.00 -2.10 0.00 0.00 70.33 64.28 1y8m n THR 2 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1y8m s LYS 3 N -5.99 3.19 -0.40 -0.78 2.20 -1.26 -4.61 119.74 112.09 1y8m s LYS 3 Ca 0.40 -1.46 0.10 0.00 -0.36 0.00 0.00 55.97 54.65 1y8m s LYS 3 Cb -0.16 -5.36 0.35 0.00 -1.51 0.00 0.00 37.83 31.14 1y8m s LYS 3 CO 0.88 -3.11 0.93 1.33 -0.36 0.00 0.00 175.35 175.02 1y8m n VAL 4 N 7.16 -0.01 -2.24 4.02 0.24 -1.26 -5.10 118.33 121.14 1y8m n VAL 4 Ca 0.45 -3.12 -0.43 0.00 -2.04 0.00 0.00 64.34 59.20 1y8m n VAL 4 Cb 0.47 0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 33.36 1y8m n VAL 4 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1y8m s ASP 5 N -1.97 6.68 0.00 -1.34 2.15 -1.26 -4.93 116.67 116.00 1y8m s ASP 5 Ca 0.31 1.72 0.00 0.00 0.43 0.00 0.00 52.55 55.01 1y8m s ASP 5 Cb 0.34 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 1y8m s ASP 5 CO -0.06 -0.99 0.00 0.49 -0.17 0.00 0.00 175.17 174.44 1y8m n PHE 6 N 7.41 0.00 -3.79 -5.34 3.72 -1.26 -5.06 117.46 113.14 1y8m n PHE 6 Ca 0.16 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.43 1y8m n PHE 6 Cb 0.45 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.90 1y8m n PHE 6 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1y8m s TRP 7 N 0.00 -0.12 0.12 1.38 0.51 -1.26 -5.16 118.94 114.40 1y8m s TRP 7 Ca 0.00 0.15 -0.02 0.00 -2.12 0.00 0.00 56.10 54.11 1y8m s TRP 7 Cb 0.00 0.06 0.03 0.00 -0.81 0.00 0.00 33.47 32.75 1y8m s TRP 7 CO 0.00 -0.37 0.07 -0.35 -0.51 0.00 0.00 176.95 175.79 1y8m n PRO 8 N 1.27 -2.16 -4.64 4.98 -0.04 -1.26 -5.06 135.00 128.10 1y8m n PRO 8 Ca -0.22 -0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 62.80 1y8m n PRO 8 Cb 0.56 -0.15 -0.06 0.00 -0.04 0.00 0.00 33.50 33.81 1y8m n PRO 8 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1y8m s THR 9 N -1.07 1.10 0.04 0.52 -4.23 -1.26 -5.02 115.64 105.71 1y8m s THR 9 Ca 0.05 -1.91 0.21 0.00 -1.18 0.00 0.00 61.69 58.86 1y8m s THR 9 Cb -0.01 -2.01 0.18 0.00 1.34 0.00 0.00 72.50 72.00 1y8m s THR 9 CO 0.04 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.08 1y8m h LEU 10 N 1.17 0.00 -1.43 4.79 5.85 -1.97 -2.86 115.31 120.87 1y8m h LEU 10 Ca -0.43 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1y8m h LEU 10 Cb 1.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1y8m h LEU 10 CO 0.70 0.30 -0.28 0.50 -0.34 0.00 0.00 178.44 179.32 1y8m h LYS 11 N 0.00 0.00 -0.00 1.25 3.64 -2.01 -1.66 116.57 117.78 1y8m h LYS 11 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1y8m h LYS 11 Cb 0.94 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1y8m h LYS 11 CO 0.04 0.28 0.01 0.22 -2.27 0.00 0.00 179.45 177.74 1y8m h ASP 12 N 0.00 0.00 0.85 4.20 1.82 -1.91 0.90 116.42 122.29 1y8m h ASP 12 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1y8m h ASP 12 Cb 0.50 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.51 1y8m h ASP 12 CO 0.04 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.67 1y8m h ALA 13 N 1.98 1.00 -0.42 -0.78 0.00 -1.46 -2.00 119.26 117.57 1y8m h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1y8m h ALA 13 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1y8m h ALA 13 CO -0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1y8m n TYR 14 N -2.89 1.05 -3.58 0.00 4.01 0.31 -4.61 117.16 111.45 1y8m n TYR 14 Ca 0.01 -0.41 -0.41 0.00 -0.16 0.00 0.00 57.90 56.93 1y8m n TYR 14 Cb 0.26 -0.21 -0.09 0.00 -0.31 0.00 0.00 39.34 38.99 1y8m n TYR 14 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1y8m s GLU 15 N -1.81 2.61 0.00 -0.72 8.01 -0.76 -5.08 118.70 120.95 1y8m s GLU 15 Ca 0.34 -1.51 0.00 0.00 0.01 0.00 0.00 54.97 53.81 1y8m s GLU 15 Cb 0.23 -3.84 0.00 0.00 -4.31 0.00 0.00 34.13 26.21 1y8m s GLU 15 CO 0.15 -1.01 0.00 -2.30 0.01 0.00 0.00 175.26 172.11 1y8m n PRO 16 N 4.94 -1.27 -3.95 0.39 -0.02 -1.26 -4.83 135.00 129.01 1y8m n PRO 16 Ca -0.10 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.29 1y8m n PRO 16 Cb 0.42 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.81 1y8m n PRO 16 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1y8m s LEU 17 N 0.00 1.90 0.43 2.45 1.43 -1.26 -5.00 118.68 118.63 1y8m s LEU 17 Ca 0.00 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1y8m s LEU 17 Cb 0.00 0.54 -0.05 0.00 0.03 0.00 0.00 46.19 46.72 1y8m s LEU 17 CO 0.00 -0.52 0.75 -0.31 0.23 0.00 0.00 176.35 176.50 1y8m s TYR 18 N -2.78 3.52 0.65 0.29 2.02 -1.26 -4.94 117.35 114.85 1y8m s TYR 18 Ca -0.03 0.86 0.38 0.00 -0.37 0.00 0.00 57.07 57.90 1y8m s TYR 18 Cb -0.00 -2.32 2.11 0.00 -0.40 0.00 0.00 41.96 41.35 1y8m s TYR 18 CO -0.05 -0.16 2.25 -1.35 -1.57 0.00 0.00 175.55 174.66 1y8m h PRO 19 N 0.73 0.00 0.19 -1.71 0.10 -2.02 -1.97 132.00 127.33 1y8m h PRO 19 Ca -0.47 0.00 -0.34 0.00 0.10 0.00 0.00 66.00 65.29 1y8m h PRO 19 Cb 1.20 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.31 1y8m h PRO 19 CO 0.63 0.00 -1.63 1.96 0.10 0.00 0.00 178.00 179.06 1y8m h GLN 20 N 0.00 0.41 -0.20 1.05 4.20 -1.98 -2.81 115.11 115.78 1y8m h GLN 20 Ca 0.01 -0.70 -0.01 0.00 0.06 0.00 0.00 58.65 58.01 1y8m h GLN 20 Cb 0.17 0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1y8m h GLN 20 CO -0.00 1.32 0.06 1.96 -0.67 0.00 0.00 178.83 181.50 1y8m h GLN 21 N 0.11 0.30 -0.11 1.46 1.08 -1.75 0.56 115.11 116.76 1y8m h GLN 21 Ca -0.30 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 56.75 1y8m h GLN 21 Cb 2.10 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.48 1y8m h GLN 21 CO 0.20 0.40 -0.34 1.25 -0.95 0.00 0.00 178.83 179.39 1y8m h LEU 22 N 0.14 0.23 -0.39 1.46 5.85 -1.62 -2.71 115.31 118.27 1y8m h LEU 22 Ca 0.06 -0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.53 1y8m h LEU 22 Cb 0.22 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1y8m h LEU 22 CO -0.00 0.56 -0.81 -0.08 -0.34 0.00 0.00 178.44 177.77 1y8m h GLU 23 N 0.19 0.03 -0.11 1.25 4.57 -1.21 -2.94 114.58 116.36 1y8m h GLU 23 Ca 0.02 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1y8m h GLU 23 Cb 0.70 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1y8m h GLU 23 CO 0.05 0.82 0.03 0.82 -1.18 0.00 0.00 179.01 179.55 1y8m h ILE 24 N 0.02 1.20 0.00 2.32 2.04 -0.59 0.18 117.51 122.67 1y8m h ILE 24 Ca -0.01 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1y8m h ILE 24 Cb 1.42 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1y8m h ILE 24 CO 0.11 0.18 -0.10 -0.07 0.00 0.00 0.00 178.15 178.27 1y8m h LEU 25 N -0.03 0.00 0.02 1.44 3.38 -1.52 -1.95 115.31 116.65 1y8m h LEU 25 Ca 0.03 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.73 1y8m h LEU 25 Cb 0.25 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.02 1y8m h LEU 25 CO 0.00 0.10 -1.14 -0.09 0.09 0.00 0.00 178.44 177.40 1y8m h ARG 26 N 0.00 0.49 -0.67 1.13 2.43 -1.24 -2.71 114.38 113.81 1y8m h ARG 26 Ca -0.00 -0.63 0.07 0.00 -0.81 0.00 0.00 59.98 58.60 1y8m h ARG 26 Cb 0.18 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 1y8m h ARG 26 CO 0.01 1.26 0.35 0.37 -1.51 0.00 0.00 179.97 180.45 1y8m h GLN 27 N 0.23 0.61 -0.25 0.20 4.15 0.10 0.49 115.11 120.64 1y8m h GLN 27 Ca -0.14 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.14 1y8m h GLN 27 Cb 1.81 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 29.35 1y8m h GLN 27 CO 0.21 0.40 -0.29 1.96 -1.93 0.00 0.00 178.83 179.19 1y8m h GLN 28 N 0.63 0.50 0.09 1.69 1.08 -1.47 0.30 115.11 117.94 1y8m h GLN 28 Ca 0.31 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1y8m h GLN 28 Cb 0.25 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1y8m h GLN 28 CO -0.21 0.74 -0.04 0.28 -0.95 0.00 0.00 178.83 178.64 1y8m h VAL 29 N 0.44 1.14 -0.46 -0.54 2.07 -0.80 -2.75 116.25 115.35 1y8m h VAL 29 Ca 0.06 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 1y8m h VAL 29 Cb 0.72 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1y8m h VAL 29 CO 0.06 0.29 0.17 0.58 0.02 0.00 0.00 177.57 178.68 1y8m h VAL 30 N -0.74 1.21 -0.31 2.57 2.07 -0.07 0.34 116.25 121.32 1y8m h VAL 30 Ca -0.01 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 66.90 1y8m h VAL 30 Cb 0.57 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1y8m h VAL 30 CO 0.02 0.25 0.22 0.77 0.02 0.00 0.00 177.57 178.85 1y8m h SER 31 N 0.60 0.10 0.86 0.57 4.64 -0.47 0.13 113.55 119.97 1y8m h SER 31 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1y8m h SER 31 Cb 0.22 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1y8m h SER 31 CO -0.01 0.07 -0.12 -0.62 -0.87 0.00 0.00 176.83 175.28 1y8m n GLU 32 N -4.47 0.03 0.00 4.77 1.02 -0.96 -4.85 120.64 116.18 1y8m n GLU 32 Ca 0.04 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1y8m n GLU 32 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1y8m n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y8m n GLY 33 N 1.49 0.84 4.14 0.62 0.00 0.45 -4.44 105.19 108.30 1y8m n GLY 33 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1y8m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8m n GLY 34 N 0.00 1.49 0.37 -0.02 0.00 0.12 -4.12 105.19 103.02 1y8m n GLY 34 Ca 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.45 1y8m n GLY 34 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1y8m h PRO 35 N 0.00 1.01 0.00 1.61 0.11 -1.95 0.13 132.00 132.91 1y8m h PRO 35 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1y8m h PRO 35 Cb 0.00 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.88 1y8m h PRO 35 CO 0.00 0.67 0.00 0.25 -0.21 0.00 0.00 178.00 178.71 1y8m n THR 36 N -4.56 0.00 -1.17 -1.15 -2.24 -1.26 -4.81 114.28 99.08 1y8m n THR 36 Ca 0.17 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.64 1y8m n THR 36 Cb 0.29 -0.37 0.11 0.00 -2.10 0.00 0.00 70.33 68.26 1y8m n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y8m s ALA 37 N -2.00 2.08 1.15 6.98 0.00 0.45 -4.83 121.76 125.59 1y8m s ALA 37 Ca 0.08 0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1y8m s ALA 37 Cb 0.04 -3.33 0.17 0.00 0.00 0.00 0.00 23.12 20.00 1y8m s ALA 37 CO 0.07 -1.98 0.27 0.25 0.00 0.00 0.00 175.76 174.37 1y8m n THR 38 N -3.57 0.00 -0.02 0.00 -2.24 -1.26 -4.82 114.28 102.37 1y8m n THR 38 Ca 0.10 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.45 1y8m n THR 38 Cb 0.53 -0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 67.99 1y8m n THR 38 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1y8m h ILE 39 N -2.41 1.37 0.00 2.28 1.08 -1.96 -3.11 117.51 114.76 1y8m h ILE 39 Ca -0.50 -1.89 -0.00 0.00 -0.39 0.00 0.00 64.86 62.07 1y8m h ILE 39 Cb 1.27 2.27 -0.00 0.00 -3.07 0.00 0.00 36.82 37.29 1y8m h ILE 39 CO 0.36 0.57 -0.02 1.56 -0.69 0.00 0.00 178.15 179.92 1y8m h GLN 40 N 0.10 0.00 -0.13 2.37 4.20 -1.99 0.05 115.11 119.71 1y8m h GLN 40 Ca -0.05 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1y8m h GLN 40 Cb 1.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 1y8m h GLN 40 CO 0.11 0.02 -0.03 0.66 -0.67 0.00 0.00 178.83 178.93 1y8m h SER 41 N 0.00 0.24 0.01 1.46 4.64 -1.88 -2.69 113.55 115.34 1y8m h SER 41 Ca -0.00 -0.36 -0.19 0.00 -0.47 0.00 0.00 61.79 60.77 1y8m h SER 41 Cb 0.04 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1y8m h SER 41 CO 0.00 0.55 -0.66 0.03 -0.87 0.00 0.00 176.83 175.88 1y8m h ARG 42 N -0.06 0.62 -0.18 4.77 3.08 -1.43 -2.68 114.38 118.49 1y8m h ARG 42 Ca 0.03 -0.45 0.05 0.00 0.07 0.00 0.00 59.98 59.68 1y8m h ARG 42 Cb 0.44 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 1y8m h ARG 42 CO 0.01 1.07 -0.20 0.35 -1.07 0.00 0.00 179.97 180.13 1y8m h PHE 43 N 0.44 -0.52 -0.31 3.04 3.04 -0.95 -0.64 116.94 121.05 1y8m h PHE 43 Ca -0.02 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.84 1y8m h PHE 43 Cb 1.25 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 40.01 1y8m h PHE 43 CO 0.06 -0.28 -0.32 -0.97 -2.02 0.00 0.00 178.31 174.78 1y8m h ASN 44 N -0.23 0.70 -0.55 0.41 -0.73 -1.52 -2.77 115.58 110.89 1y8m h ASN 44 Ca 0.12 -0.28 0.03 0.00 1.87 0.00 0.00 56.30 58.03 1y8m h ASN 44 Cb 0.40 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 1y8m h ASN 44 CO -0.31 0.97 0.36 0.22 -0.37 0.00 0.00 177.43 178.30 1y8m h TYR 45 N 0.57 0.62 -0.01 0.67 3.20 -1.01 -0.79 116.97 120.23 1y8m h TYR 45 Ca 0.07 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.80 1y8m h TYR 45 Cb 0.82 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 1y8m h TYR 45 CO 0.04 0.37 -0.72 0.00 -1.64 0.00 0.00 178.16 176.21 1y8m h ALA 46 N 1.68 0.80 -0.28 1.82 0.00 -0.88 -2.99 119.26 119.41 1y8m h ALA 46 Ca 0.22 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1y8m h ALA 46 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1y8m h ALA 46 CO -0.06 0.88 0.01 2.35 0.00 0.00 0.00 179.25 182.43 1y8m h TRP 47 N 0.03 0.53 -0.58 0.00 -0.00 -0.90 -2.65 115.95 112.38 1y8m h TRP 47 Ca -0.01 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.89 58.74 1y8m h TRP 47 Cb 1.27 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.16 30.27 1y8m h TRP 47 CO 0.00 0.63 0.17 0.78 -0.00 0.00 0.00 178.44 180.03 1y8m h GLY 48 N 0.28 0.95 2.00 2.65 0.00 -1.42 -1.85 103.07 105.67 1y8m h GLY 48 Ca 0.08 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1y8m h GLY 48 CO 0.01 0.50 -0.15 1.41 0.00 0.00 0.00 176.54 178.32 1y8m h LEU 49 N 0.85 0.00 -0.20 3.11 3.38 -1.36 -1.81 115.31 119.28 1y8m h LEU 49 Ca 0.19 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 1y8m h LEU 49 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1y8m h LEU 49 CO -0.01 0.15 -0.73 0.40 0.09 0.00 0.00 178.44 178.34 1y8m h ILE 50 N 0.00 1.32 0.00 1.22 2.04 -0.99 -3.04 117.51 118.07 1y8m h ILE 50 Ca -0.00 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.18 1y8m h ILE 50 Cb 0.31 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 1y8m h ILE 50 CO 0.02 0.71 0.00 0.29 0.00 0.00 0.00 178.15 179.17 1y8m n LYS 51 N -3.39 0.13 -1.30 2.37 5.02 -0.70 -4.82 118.16 115.48 1y8m n LYS 51 Ca 0.00 0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 56.16 1y8m n LYS 51 Cb 0.79 -1.69 0.11 0.00 -0.02 0.00 0.00 35.03 34.22 1y8m n LYS 51 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y8m s SER 52 N -3.79 3.90 0.08 4.39 0.15 -1.11 -4.25 113.70 113.07 1y8m s SER 52 Ca 0.10 2.42 0.04 0.00 0.70 0.00 0.00 55.95 59.21 1y8m s SER 52 Cb 0.13 -2.60 -0.24 0.00 -1.71 0.00 0.00 66.02 61.61 1y8m s SER 52 CO 0.48 -2.47 1.13 0.71 1.20 0.00 0.00 173.24 174.30 1y8m h THR 53 N -0.49 1.51 -4.03 6.45 1.35 -1.89 -3.46 112.91 112.35 1y8m h THR 53 Ca -0.47 -3.20 -0.47 0.00 -0.55 0.00 0.00 66.41 61.72 1y8m h THR 53 Cb 1.31 2.82 0.02 0.00 -1.73 0.00 0.00 68.15 70.56 1y8m h THR 53 CO 0.48 0.89 0.39 -1.81 -0.25 0.00 0.00 175.52 175.22 1y8m s ASP 54 N -6.78 6.53 0.35 5.36 1.01 -1.26 -4.93 116.67 116.94 1y8m s ASP 54 Ca -0.02 1.96 0.24 0.00 0.71 0.00 0.00 52.55 55.45 1y8m s ASP 54 Cb 0.09 -2.57 0.54 0.00 1.01 0.00 0.00 42.92 41.99 1y8m s ASP 54 CO 0.84 -0.65 1.68 1.62 0.21 0.00 0.00 175.17 178.87 1y8m h VAL 55 N 1.83 0.00 -0.02 -1.27 3.04 -1.97 -3.29 116.25 114.57 1y8m h VAL 55 Ca -0.49 -0.78 0.01 0.00 -1.01 0.00 0.00 66.70 64.43 1y8m h VAL 55 Cb 1.22 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 32.27 1y8m h VAL 55 CO 0.60 0.00 -0.03 -1.13 -1.01 0.00 0.00 177.57 176.01 1y8m h ASN 56 N 0.00 -0.09 0.14 3.17 -0.00 -1.96 -1.70 115.58 115.14 1y8m h ASN 56 Ca 0.00 0.02 -0.10 0.00 -0.00 0.00 0.00 56.30 56.22 1y8m h ASN 56 Cb 0.89 0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 39.24 1y8m h ASN 56 CO 0.00 -0.04 -0.36 0.44 -0.00 0.00 0.00 177.43 177.47 1y8m h ASP 57 N -0.04 0.31 -0.89 1.15 5.19 -1.83 -2.87 116.42 117.44 1y8m h ASP 57 Ca 0.02 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1y8m h ASP 57 Cb 0.07 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 1y8m h ASP 57 CO -0.05 0.65 0.50 -0.33 -3.12 0.00 0.00 179.24 176.90 1y8m h GLU 58 N 0.26 1.24 0.00 3.56 5.08 -1.39 -1.74 114.58 121.59 1y8m h GLU 58 Ca 0.03 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1y8m h GLU 58 Cb 0.75 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1y8m h GLU 58 CO 0.06 0.89 -0.37 0.00 -1.00 0.00 0.00 179.01 178.59 1y8m h ARG 59 N 1.25 0.00 -0.20 2.33 3.08 -1.13 -3.01 114.38 116.69 1y8m h ARG 59 Ca 0.32 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.16 1y8m h ARG 59 Cb 0.01 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1y8m h ARG 59 CO -0.05 0.37 -0.69 1.25 -1.07 0.00 0.00 179.97 179.78 1y8m h LEU 60 N 0.00 0.92 -0.57 3.04 5.85 -1.14 -3.03 115.31 120.40 1y8m h LEU 60 Ca -0.00 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1y8m h LEU 60 Cb 0.91 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1y8m h LEU 60 CO 0.05 1.36 0.31 1.23 -0.34 0.00 0.00 178.44 181.05 1y8m h GLY 61 N 0.66 0.84 0.74 3.75 0.00 -1.25 -2.39 103.07 105.43 1y8m h GLY 61 Ca -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 46.95 1y8m h GLY 61 CO 0.14 0.36 -0.00 -2.08 0.00 0.00 0.00 176.54 174.97 1y8m h VAL 62 N 0.76 0.88 -0.93 4.60 2.07 -1.52 0.30 116.25 122.42 1y8m h VAL 62 Ca 0.20 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.81 1y8m h VAL 62 Cb 0.04 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 1y8m h VAL 62 CO -0.03 0.01 0.57 0.50 0.02 0.00 0.00 177.57 178.63 1y8m h LYS 63 N 0.05 0.90 -0.01 1.57 3.64 -1.37 0.45 116.57 121.80 1y8m h LYS 63 Ca 0.08 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1y8m h LYS 63 Cb 0.10 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1y8m h LYS 63 CO -0.13 0.60 -0.01 0.82 -2.27 0.00 0.00 179.45 178.45 1y8m h ILE 64 N 0.93 1.40 -0.03 2.00 2.04 -0.82 -0.10 117.51 122.92 1y8m h ILE 64 Ca 0.45 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 65.14 1y8m h ILE 64 Cb 0.40 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1y8m h ILE 64 CO -0.25 0.31 0.03 -0.07 0.00 0.00 0.00 178.15 178.17 1y8m h LEU 65 N -0.47 0.00 0.00 1.44 3.38 0.23 0.13 115.31 120.01 1y8m h LEU 65 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1y8m h LEU 65 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1y8m h LEU 65 CO 0.00 0.00 -0.96 0.74 0.09 0.00 0.00 178.44 178.31 1y8m h THR 66 N 0.00 1.29 -0.08 0.22 2.02 0.04 -2.15 112.91 114.25 1y8m h THR 66 Ca 0.02 -2.90 -0.15 0.00 0.77 0.00 0.00 66.41 64.15 1y8m h THR 66 Cb 0.07 2.62 0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1y8m h THR 66 CO -0.00 0.74 -0.52 0.44 0.37 0.00 0.00 175.52 176.54 1y8m h ASP 67 N 0.00 0.60 0.38 4.18 5.19 0.79 -2.81 116.42 124.75 1y8m h ASP 67 Ca -0.05 -0.66 -0.08 0.00 -0.62 0.00 0.00 57.03 55.62 1y8m h ASP 67 Cb 1.67 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.99 1y8m h ASP 67 CO 0.10 1.17 -0.36 0.40 -3.12 0.00 0.00 179.24 177.43 1y8m h ILE 68 N 0.08 1.24 0.46 0.35 2.04 -0.90 0.23 117.51 121.01 1y8m h ILE 68 Ca -0.04 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 1y8m h ILE 68 Cb 1.18 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1y8m h ILE 68 CO 0.11 0.36 -0.22 0.22 0.00 0.00 0.00 178.15 178.61 1y8m h TYR 69 N 0.00 -0.57 0.00 1.37 5.03 -1.28 -2.23 116.97 119.29 1y8m h TYR 69 Ca -0.00 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.24 1y8m h TYR 69 Cb 0.65 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 1y8m h TYR 69 CO 0.00 -0.33 -0.24 0.87 -1.32 0.00 0.00 178.16 177.14 1y8m h LYS 70 N -0.66 0.00 -0.99 1.82 1.57 -1.34 -3.19 116.57 113.78 1y8m h LYS 70 Ca -0.06 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.05 1y8m h LYS 70 Cb 0.49 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.51 1y8m h LYS 70 CO 0.10 0.24 0.83 -1.91 -0.57 0.00 0.00 179.45 178.14 1y8m n GLU 71 N -3.25 2.68 -1.26 3.15 4.07 0.81 -4.94 120.64 121.90 1y8m n GLU 71 Ca 0.02 -3.29 0.00 0.00 -0.06 0.00 0.00 57.16 53.83 1y8m n GLU 71 Cb 0.53 -2.28 0.00 0.00 -0.06 0.00 0.00 31.44 29.63 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1y8m n ALA 72 N -0.93 0.00 -2.05 4.31 0.00 -0.87 -4.85 120.51 116.13 1y8m n ALA 72 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1y8m n ALA 72 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1y8m n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y8m n GLU 73 N 0.00 0.00 -0.64 0.00 1.02 -1.26 -4.89 120.64 114.86 1y8m n GLU 73 Ca 0.00 0.00 0.50 0.00 -0.02 0.00 0.00 57.16 57.64 1y8m n GLU 73 Cb 0.00 0.00 0.80 0.00 -0.02 0.00 0.00 31.44 32.22 1y8m n GLU 73 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1y8m h SER 74 N 0.00 0.00 0.00 1.62 0.02 -1.99 1.41 113.55 114.61 1y8m h SER 74 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1y8m h SER 74 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1y8m h SER 74 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1y8m n ARG 75 N -3.93 0.28 0.01 3.45 3.00 -1.26 -2.60 116.66 115.61 1y8m n ARG 75 Ca 0.41 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 58.09 1y8m n ARG 75 Cb 1.91 -1.41 -0.06 0.00 0.00 0.00 0.00 32.46 32.89 1y8m n ARG 75 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1y8m h ARG 76 N 0.00 0.68 -0.79 5.56 0.11 0.16 -3.08 114.38 117.03 1y8m h ARG 76 Ca 0.00 -0.61 0.05 0.00 0.10 0.00 0.00 59.98 59.52 1y8m h ARG 76 Cb 0.00 0.14 -0.05 0.00 1.11 0.00 0.00 29.97 31.17 1y8m h ARG 76 CO 0.00 1.22 0.48 0.07 0.10 0.00 0.00 179.97 181.84 1y8m h ARG 77 N 0.44 0.88 -0.51 0.08 0.11 -1.72 -1.22 114.38 112.45 1y8m h ARG 77 Ca -0.07 -0.05 -0.10 0.00 0.10 0.00 0.00 59.98 59.85 1y8m h ARG 77 Cb 1.48 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 32.34 1y8m h ARG 77 CO 0.17 0.58 -0.09 0.93 0.10 0.00 0.00 179.97 181.66 1y8m h GLU 78 N 0.91 0.93 -0.53 0.08 3.07 -1.76 -2.91 114.58 114.36 1y8m h GLU 78 Ca 0.33 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1y8m h GLU 78 Cb 0.11 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1y8m h GLU 78 CO -0.15 0.97 0.31 0.00 -1.40 0.00 0.00 179.01 178.74 1y8m h LEU 80 N 0.71 0.82 0.08 0.00 3.38 -1.06 0.91 115.31 120.15 1y8m h LEU 80 Ca 0.19 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1y8m h LEU 80 Cb 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1y8m h LEU 80 CO -0.03 0.44 -0.04 0.22 0.09 0.00 0.00 178.44 179.12 1y8m h TYR 81 N 0.88 -0.09 -0.05 1.13 3.20 -1.26 -1.54 116.97 119.23 1y8m h TYR 81 Ca 0.47 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.22 1y8m h TYR 81 Cb 0.55 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1y8m h TYR 81 CO -0.00 0.25 -0.50 1.88 -1.64 0.00 0.00 178.16 178.15 1y8m h TYR 82 N -0.45 0.17 -0.20 -3.82 0.05 -0.75 -2.75 116.97 109.22 1y8m h TYR 82 Ca -0.01 -0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.60 1y8m h TYR 82 Cb 0.39 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1y8m h TYR 82 CO 0.04 0.61 -0.36 -0.07 -1.05 0.00 0.00 178.16 177.33 1y8m h LEU 83 N 0.11 0.45 -0.46 3.88 3.38 0.88 0.30 115.31 123.85 1y8m h LEU 83 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1y8m h LEU 83 Cb 0.92 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1y8m h LEU 83 CO 0.07 0.78 0.30 0.74 0.09 0.00 0.00 178.44 180.42 1y8m h THR 84 N 0.37 1.13 -0.05 0.22 2.02 -0.98 0.64 112.91 116.25 1y8m h THR 84 Ca 0.04 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1y8m h THR 84 Cb 0.81 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1y8m h THR 84 CO 0.07 0.13 -0.11 0.40 0.37 0.00 0.00 175.52 176.37 1y8m h ILE 85 N 0.62 1.42 -0.88 3.11 2.04 -1.31 -0.08 117.51 122.43 1y8m h ILE 85 Ca 0.17 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 1y8m h ILE 85 Cb -0.05 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1y8m h ILE 85 CO -0.03 0.39 0.46 1.23 0.00 0.00 0.00 178.15 180.20 1y8m h GLY 86 N -0.33 1.32 1.88 5.37 0.00 -0.23 -2.71 103.07 108.37 1y8m h GLY 86 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 47.33 46.51 1y8m h GLY 86 CO 0.02 0.59 -0.94 0.00 0.00 0.00 0.00 176.54 176.21 1y8m h TYR 88 N 0.05 0.25 0.00 0.00 3.20 -0.70 -2.61 116.97 117.16 1y8m h TYR 88 Ca -0.04 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1y8m h TYR 88 Cb 1.62 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.81 1y8m h TYR 88 CO 0.02 0.20 0.00 -0.22 -1.64 0.00 0.00 178.16 176.52 1y8m h LYS 89 N 0.22 0.00 0.00 1.82 1.63 -1.59 -3.24 116.57 115.41 1y8m h LYS 89 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1y8m h LYS 89 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1y8m h LYS 89 CO -0.01 0.00 -0.14 -0.07 -3.45 0.00 0.00 179.45 175.78 1y8m h LEU 90 N 0.00 0.00 0.00 5.20 3.38 -1.30 -3.47 115.31 119.11 1y8m h LEU 90 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1y8m h LEU 90 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1y8m h LEU 90 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1y8m n GLY 91 N 1.12 2.23 2.59 0.83 0.00 -1.10 -5.00 105.19 105.88 1y8m n GLY 91 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1y8m n GLY 91 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1y8m n GLU 92 N -0.46 4.40 0.27 1.61 0.28 -1.05 -4.67 120.64 121.01 1y8m n GLU 92 Ca 0.00 -3.56 0.15 0.00 -0.16 0.00 0.00 57.16 53.59 1y8m n GLU 92 Cb 0.00 -2.69 0.70 0.00 1.43 0.00 0.00 31.44 30.88 1y8m n GLU 92 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 1y8m h TYR 93 N 4.88 0.00 -0.01 -1.84 0.05 -1.85 -1.80 116.97 116.40 1y8m h TYR 93 Ca 0.61 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.34 1y8m h TYR 93 Cb 0.39 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1y8m h TYR 93 CO 1.49 0.07 -0.23 1.03 -1.05 0.00 0.00 178.16 179.48 1y8m h SER 94 N 0.00 0.02 0.08 3.88 0.87 -1.93 -0.33 113.55 116.14 1y8m h SER 94 Ca -0.00 -0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 1y8m h SER 94 Cb 0.48 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1y8m h SER 94 CO 0.01 0.25 -0.86 -0.03 -0.53 0.00 0.00 176.83 175.67 1y8m h MET 95 N 0.02 0.45 -0.36 2.24 1.85 -1.72 -2.91 114.93 114.51 1y8m h MET 95 Ca 0.00 -0.59 0.04 0.00 -0.61 0.00 0.00 59.70 58.54 1y8m h MET 95 Cb 0.42 0.19 -0.04 0.00 0.43 0.00 0.00 31.60 32.60 1y8m h MET 95 CO 0.03 1.23 0.13 0.00 -0.40 0.00 0.00 176.91 177.90 1y8m h ALA 96 N 0.24 0.41 0.18 0.39 0.00 -1.12 -0.49 119.26 118.88 1y8m h ALA 96 Ca -0.13 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1y8m h ALA 96 Cb 1.60 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1y8m h ALA 96 CO 0.17 -0.27 -0.22 -0.22 0.00 0.00 0.00 179.25 178.71 1y8m h LYS 97 N 0.28 -0.43 -0.36 0.00 3.64 -1.13 0.43 116.57 119.00 1y8m h LYS 97 Ca 0.16 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1y8m h LYS 97 Cb 0.13 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1y8m h LYS 97 CO -0.16 -0.29 -0.04 -0.09 -2.27 0.00 0.00 179.45 176.59 1y8m h ARG 98 N -0.45 0.59 -0.01 1.90 2.43 -1.29 0.39 114.38 117.94 1y8m h ARG 98 Ca 0.01 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1y8m h ARG 98 Cb 0.44 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1y8m h ARG 98 CO -0.08 0.64 -0.13 1.88 -1.51 0.00 0.00 179.97 180.77 1y8m h TYR 99 N 0.55 0.16 -0.30 2.20 -1.99 -0.75 -2.70 116.97 114.14 1y8m h TYR 99 Ca 0.11 -0.08 -0.08 0.00 2.00 0.00 0.00 58.73 60.68 1y8m h TYR 99 Cb 0.42 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 1y8m h TYR 99 CO 0.02 0.82 -0.15 -0.24 -0.00 0.00 0.00 178.16 178.61 1y8m h VAL 100 N -0.55 1.24 -0.11 -2.88 3.04 -0.11 -2.36 116.25 114.53 1y8m h VAL 100 Ca -0.01 -1.09 -0.00 0.00 -1.01 0.00 0.00 66.70 64.58 1y8m h VAL 100 Cb 0.85 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 1y8m h VAL 100 CO 0.03 0.36 0.06 -0.78 -1.01 0.00 0.00 177.57 176.23 1y8m h ASP 101 N 0.48 0.14 0.01 3.17 1.82 -0.95 0.33 116.42 121.42 1y8m h ASP 101 Ca 0.08 -0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1y8m h ASP 101 Cb 0.55 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 1y8m h ASP 101 CO 0.03 0.17 -0.08 0.74 -1.61 0.00 0.00 179.24 178.49 1y8m h THR 102 N 0.10 0.79 -0.39 2.25 2.02 -1.24 0.39 112.91 116.83 1y8m h THR 102 Ca 0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 1y8m h THR 102 Cb 0.06 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1y8m h THR 102 CO -0.01 0.00 0.04 0.25 0.37 0.00 0.00 175.52 176.17 1y8m h LEU 103 N -0.15 0.63 -1.69 2.58 5.85 -1.27 -2.61 115.31 118.65 1y8m h LEU 103 Ca 0.03 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1y8m h LEU 103 Cb 0.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1y8m h LEU 103 CO -0.08 0.75 0.01 0.15 -0.34 0.00 0.00 178.44 178.93 1y8m h PHE 104 N 0.49 0.20 -0.46 1.25 3.57 -0.11 -2.11 116.94 119.76 1y8m h PHE 104 Ca 0.11 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1y8m h PHE 104 Cb 0.40 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1y8m h PHE 104 CO 0.03 0.20 0.24 1.49 -2.23 0.00 0.00 178.31 178.04 1y8m h GLU 105 N 0.20 0.66 0.00 1.11 4.22 -0.53 -3.35 114.58 116.89 1y8m h GLU 105 Ca 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1y8m h GLU 105 Cb 0.12 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1y8m h GLU 105 CO 0.00 0.54 0.00 1.58 -2.18 0.00 0.00 179.01 178.95 1y8m n HIS 106 N -4.66 0.00 -4.39 0.92 -0.00 -0.79 -4.77 115.22 101.53 1y8m n HIS 106 Ca 0.01 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.92 1y8m n HIS 106 Cb 0.10 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 29.84 1y8m n HIS 106 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1y8m s GLU 107 N 0.00 1.35 0.00 1.57 2.56 -1.26 -5.14 118.70 117.79 1y8m s GLU 107 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 54.97 53.68 1y8m s GLU 107 Cb 0.00 -1.77 0.00 0.00 2.00 0.00 0.00 34.13 34.36 1y8m s GLU 107 CO 0.00 0.42 0.00 0.54 -0.56 0.00 0.00 175.26 175.66 1y8m n ARG 108 N 1.01 0.00 0.00 4.30 1.74 -1.26 -4.77 116.66 117.67 1y8m n ARG 108 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1y8m n ARG 108 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1y8m n ARG 108 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1y8m n ASN 109 N 0.00 -3.64 -3.20 0.55 5.15 -1.26 -4.93 115.26 107.93 1y8m n ASN 109 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1y8m n ASN 109 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1y8m n ASN 109 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1y8m n ASN 110 N -3.16 -7.02 0.12 1.20 4.13 -1.26 -4.61 115.26 104.67 1y8m n ASN 110 Ca 0.00 -0.10 0.04 0.00 1.68 0.00 0.00 54.58 56.20 1y8m n ASN 110 Cb 0.00 -4.23 0.22 0.00 -1.54 0.00 0.00 39.78 34.23 1y8m n ASN 110 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1y8m n LYS 111 N -1.39 0.06 0.10 3.52 5.02 -1.26 0.06 118.16 124.27 1y8m n LYS 111 Ca -0.04 0.48 -0.03 0.00 -2.02 0.00 0.00 58.31 56.69 1y8m n LYS 111 Cb 0.55 -2.04 0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1y8m n LYS 111 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1y8m h GLN 112 N 0.00 0.00 -0.01 1.97 4.20 -1.96 -1.91 115.11 117.39 1y8m h GLN 112 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1y8m h GLN 112 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1y8m h GLN 112 CO 0.00 0.78 -0.18 0.28 -0.67 0.00 0.00 178.83 179.04 1y8m h VAL 113 N 0.00 1.53 -0.66 -0.54 2.07 -0.64 0.54 116.25 118.55 1y8m h VAL 113 Ca -0.01 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 1y8m h VAL 113 Cb 1.42 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 33.82 1y8m h VAL 113 CO 0.10 0.49 0.37 1.23 0.02 0.00 0.00 177.57 179.78 1y8m h GLY 114 N -0.51 0.97 0.54 2.17 0.00 -1.59 0.23 103.07 104.87 1y8m h GLY 114 Ca -0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1y8m h GLY 114 CO 0.04 0.40 -0.44 0.00 0.00 0.00 0.00 176.54 176.53 1y8m h ALA 115 N 1.49 0.01 -0.25 3.60 0.00 -1.33 -2.56 119.26 120.22 1y8m h ALA 115 Ca 0.23 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1y8m h ALA 115 Cb 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1y8m h ALA 115 CO -0.04 0.21 0.12 1.25 0.00 0.00 0.00 179.25 180.79 1y8m h LEU 116 N -0.43 0.17 -2.02 0.00 5.85 0.35 -0.52 115.31 118.71 1y8m h LEU 116 Ca -0.07 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1y8m h LEU 116 Cb 1.24 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1y8m h LEU 116 CO 0.09 0.13 0.09 0.50 -0.34 0.00 0.00 178.44 178.91 1y8m h LYS 117 N 0.26 0.00 -0.18 1.25 3.64 -0.61 -1.25 116.57 119.66 1y8m h LYS 117 Ca 0.11 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1y8m h LYS 117 Cb 0.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1y8m h LYS 117 CO -0.08 0.00 -0.05 1.03 -2.27 0.00 0.00 179.45 178.08 1y8m h SER 118 N 0.00 0.25 -0.19 4.20 0.87 -0.65 1.00 113.55 119.03 1y8m h SER 118 Ca 0.06 -0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 1y8m h SER 118 Cb 0.23 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1y8m h SER 118 CO -0.00 0.34 -0.41 0.24 -0.53 0.00 0.00 176.83 176.47 1y8m h MET 119 N 0.27 0.61 0.15 2.24 2.86 -1.09 0.10 114.93 120.08 1y8m h MET 119 Ca 0.06 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1y8m h MET 119 Cb 0.26 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1y8m h MET 119 CO 0.01 1.02 -0.07 0.28 1.06 0.00 0.00 176.91 179.21 1y8m h VAL 120 N 0.28 0.90 -0.25 -2.22 2.07 -1.36 0.23 116.25 115.91 1y8m h VAL 120 Ca 0.00 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 1y8m h VAL 120 Cb 1.02 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1y8m h VAL 120 CO 0.09 0.05 -0.40 -0.33 0.02 0.00 0.00 177.57 177.00 1y8m h GLU 121 N -0.30 0.58 -0.26 1.57 4.39 -0.85 -0.47 114.58 119.24 1y8m h GLU 121 Ca -0.02 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.28 1y8m h GLU 121 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1y8m h GLU 121 CO 0.03 0.88 -0.25 -0.44 -1.16 0.00 0.00 179.01 178.07 1y8m h ASP 122 N 0.48 0.67 0.14 1.42 3.32 -0.65 -0.15 116.42 121.65 1y8m h ASP 122 Ca 0.04 -0.47 -0.17 0.00 0.02 0.00 0.00 57.03 56.45 1y8m h ASP 122 Cb 0.90 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1y8m h ASP 122 CO 0.08 1.01 -0.62 0.50 -1.72 0.00 0.00 179.24 178.48 1y8m h LYS 123 N 0.35 0.47 0.00 3.56 1.63 -0.49 -2.72 116.57 119.37 1y8m h LYS 123 Ca 0.04 -0.33 -0.03 0.00 -0.85 0.00 0.00 60.65 59.48 1y8m h LYS 123 Cb 0.82 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1y8m h LYS 123 CO 0.06 0.95 -0.16 0.82 -3.45 0.00 0.00 179.45 177.67 1y8m h ILE 124 N 0.35 0.33 -0.29 2.00 2.04 -1.05 -2.86 117.51 118.02 1y8m h ILE 124 Ca -0.01 -1.15 -0.09 0.00 1.00 0.00 0.00 64.86 64.61 1y8m h ILE 124 Cb 1.17 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1y8m h ILE 124 CO 0.11 0.16 -0.19 1.56 0.00 0.00 0.00 178.15 179.78 1y8m h GLN 125 N 0.00 0.54 -0.38 2.37 1.08 -0.70 -2.67 115.11 115.36 1y8m h GLN 125 Ca -0.00 -0.19 -0.15 0.00 -1.45 0.00 0.00 58.65 56.86 1y8m h GLN 125 Cb 0.88 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 1y8m h GLN 125 CO 0.02 0.71 -0.36 0.87 -0.95 0.00 0.00 178.83 179.12 1y8m h LYS 126 N 0.48 0.89 -1.25 1.46 6.56 -1.40 -2.70 116.57 120.60 1y8m h LYS 126 Ca 0.08 -0.45 0.36 0.00 -1.06 0.00 0.00 60.65 59.58 1y8m h LYS 126 Cb 0.61 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.20 1y8m h LYS 126 CO 0.04 1.10 0.87 0.93 -2.06 0.00 0.00 179.45 180.33 1y8m h GLU 127 N 0.73 0.11 -0.04 3.15 4.39 -1.41 0.99 114.58 122.51 1y8m h GLU 127 Ca 0.07 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1y8m h GLU 127 Cb 0.94 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1y8m h GLU 127 CO 0.09 0.07 0.03 1.15 -1.16 0.00 0.00 179.01 179.19 1y8m h THR 128 N 0.11 0.79 -4.05 1.13 2.02 -1.48 -3.38 112.91 108.05 1y8m h THR 128 Ca 0.65 0.00 -0.45 0.00 0.77 0.00 0.00 66.41 67.38 1y8m h THR 128 Cb 2.28 0.98 0.16 0.00 -1.74 0.00 0.00 68.15 69.83 1y8m h THR 128 CO -0.13 0.00 0.42 -0.22 0.37 0.00 0.00 175.52 175.95 1y8m s LEU 129 N -8.49 2.65 -0.82 2.58 2.96 0.34 -4.82 118.68 113.08 1y8m s LEU 129 Ca -0.05 0.31 -0.22 0.00 -0.22 0.00 0.00 54.13 53.95 1y8m s LEU 129 Cb 0.16 -2.37 -0.19 0.00 0.50 0.00 0.00 46.19 44.30 1y8m s LEU 129 CO 0.62 -2.72 2.36 0.29 -1.32 0.00 0.00 176.35 175.59 1y8m n LYS 130 N -3.77 0.45 -2.42 1.98 5.02 -1.26 -4.89 118.16 113.27 1y8m n LYS 130 Ca 0.15 -0.54 -0.27 0.00 -2.02 0.00 0.00 58.31 55.63 1y8m n LYS 130 Cb 0.59 -2.94 0.02 0.00 -0.02 0.00 0.00 35.03 32.69 1y8m n LYS 130 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1y8m s GLY 131 N 8.29 1.59 -0.06 0.72 0.00 -1.26 -5.07 107.32 111.53 1y8m s GLY 131 Ca 1.05 -0.63 -0.01 0.00 0.00 0.00 0.00 44.72 45.13 1y8m s GLY 131 CO 0.23 -0.37 0.00 -1.34 0.00 0.00 0.00 173.10 171.62 1y8m s VAL 132 N -2.95 4.26 0.38 1.40 -7.23 -1.26 -5.12 120.40 109.88 1y8m s VAL 132 Ca 0.53 -0.37 0.08 0.00 -1.81 0.00 0.00 61.98 60.41 1y8m s VAL 132 Cb -0.10 -2.83 -0.07 0.00 0.56 0.00 0.00 36.38 33.93 1y8m s VAL 132 CO 0.45 0.52 -0.00 0.68 -0.31 0.00 0.00 175.10 176.45 1y8m s VAL 133 N -0.96 2.20 -0.01 1.32 -7.23 -1.26 -5.10 120.40 109.36 1y8m s VAL 133 Ca 0.16 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1y8m s VAL 133 Cb -0.11 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1y8m s VAL 133 CO 0.05 -0.09 1.12 -0.69 -0.31 0.00 0.00 175.10 175.18 1y8m s VAL 134 N -2.64 4.41 0.04 1.32 1.01 -1.26 -4.72 120.40 118.56 1y8m s VAL 134 Ca 0.35 1.72 0.00 0.00 0.00 0.00 0.00 61.98 64.05 1y8m s VAL 134 Cb 0.06 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1y8m s VAL 134 CO 0.18 0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.36 1y8m n ALA 135 N 4.44 0.00 0.00 5.51 0.00 -1.26 -5.16 120.51 124.04 1y8m n ALA 135 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1y8m n ALA 135 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1y8m n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y8m n GLY 136 N -1.48 -0.53 0.00 0.00 0.00 -1.26 -5.05 105.19 96.87 1y8m n GLY 136 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1y8m n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8m n GLY 137 N 0.00 -0.53 2.61 -0.02 0.00 -1.26 -4.93 105.19 101.06 1y8m n GLY 137 Ca 0.00 0.85 -0.15 0.00 0.00 0.00 0.00 46.02 46.72 1y8m n GLY 137 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1y8m n VAL 138 N 0.00 -0.74 -2.41 1.61 0.31 -1.26 -4.61 118.33 111.23 1y8m n VAL 138 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1y8m n VAL 138 Cb 0.00 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.02 1y8m n VAL 138 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1y8m n HIS 139 N -3.56 -1.16 0.00 3.52 8.25 -1.26 -4.94 115.22 116.07 1y8m n HIS 139 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1y8m n HIS 139 Cb 0.60 0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.84 1y8m n HIS 139 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1y8m n HIS 140 N -0.66 0.00 0.00 4.41 8.25 -1.26 -5.07 115.22 120.89 1y8m n HIS 140 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1y8m n HIS 140 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1y8m n HIS 140 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1y8m n HIS 141 N 0.00 0.00 -1.60 4.41 8.25 -1.26 -4.54 115.22 120.48 1y8m n HIS 141 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1y8m n HIS 141 Cb 0.00 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.20 1y8m n HIS 141 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1y8m s HIS 142 N 0.00 2.87 0.10 4.41 0.00 -1.26 -4.74 115.29 116.67 1y8m s HIS 142 Ca 0.00 1.11 0.00 0.00 -3.00 0.00 0.00 55.06 53.17 1y8m s HIS 142 Cb 0.00 -3.14 0.00 0.00 -4.00 0.00 0.00 32.58 25.44 1y8m s HIS 142 CO 0.00 -1.74 0.00 1.58 -1.00 0.00 0.00 174.74 173.58 1y8m n HIS 143 N -3.40 -4.29 -1.72 0.38 -0.00 -1.26 -5.14 115.22 99.79 1y8m n HIS 143 Ca 0.07 2.57 0.00 0.00 -0.00 0.00 0.00 57.72 60.36 1y8m n HIS 143 Cb 0.57 -3.37 0.00 0.00 -0.00 0.00 0.00 29.99 27.19 1y8m n HIS 143 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92