#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 4.05 0.00 3.17 -2.24 -1.26 -4.83 114.28 113.17 1y8m n THR 2 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1y8m n THR 2 Cb 0.00 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.66 1y8m n THR 2 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1y8m n LYS 3 N -1.19 0.00 0.00 -0.78 3.00 -1.26 -5.11 118.16 112.82 1y8m n LYS 3 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1y8m n LYS 3 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.48 1y8m n LYS 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1y8m n VAL 4 N -0.25 0.00 0.00 3.15 3.14 -1.26 -4.97 118.33 118.14 1y8m n VAL 4 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1y8m n VAL 4 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1y8m n VAL 4 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1y8m n ASP 5 N 0.00 0.00 -1.03 6.55 9.92 -1.26 -5.00 116.55 125.73 1y8m n ASP 5 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1y8m n ASP 5 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1y8m n ASP 5 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1y8m n PHE 6 N 0.00 0.00 -3.46 1.24 -1.74 -1.26 -5.04 117.46 107.20 1y8m n PHE 6 Ca 0.00 -0.42 -0.14 0.00 -0.56 0.00 0.00 57.45 56.34 1y8m n PHE 6 Cb 0.00 0.30 0.00 0.00 1.52 0.00 0.00 39.48 41.30 1y8m n PHE 6 CO 0.00 0.00 0.00 0.91 -0.56 0.00 0.00 176.76 177.11 1y8m n TRP 7 N 0.11 -2.47 -0.09 2.97 7.02 -1.26 -4.94 117.44 118.78 1y8m n TRP 7 Ca -0.16 0.97 -0.13 0.00 -1.02 0.00 0.00 57.50 57.16 1y8m n TRP 7 Cb 0.77 -3.39 0.13 0.00 -2.42 0.00 0.00 31.31 26.40 1y8m n TRP 7 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 1y8m n PRO 8 N -2.27 -3.24 -3.25 -0.99 -0.02 -1.26 -5.03 135.00 118.94 1y8m n PRO 8 Ca -0.17 -0.62 -0.19 0.00 -2.02 0.00 0.00 63.50 60.51 1y8m n PRO 8 Cb 0.60 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 33.28 1y8m n PRO 8 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1y8m s THR 9 N -1.46 3.63 0.30 3.45 -4.23 -1.26 -5.00 115.64 111.07 1y8m s THR 9 Ca 0.28 -0.96 0.10 0.00 -1.18 0.00 0.00 61.69 59.93 1y8m s THR 9 Cb -0.05 -3.25 0.02 0.00 1.34 0.00 0.00 72.50 70.56 1y8m s THR 9 CO 0.24 -0.10 1.68 0.25 -0.54 0.00 0.00 174.62 176.15 1y8m h LEU 10 N 0.74 0.08 -1.48 4.79 5.85 -1.98 -2.42 115.31 120.89 1y8m h LEU 10 Ca -0.44 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 1y8m h LEU 10 Cb 1.27 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1y8m h LEU 10 CO 0.50 0.57 -0.13 0.07 -0.34 0.00 0.00 178.44 179.12 1y8m h LYS 11 N 0.06 0.18 -0.16 1.25 2.10 -2.01 -1.01 116.57 116.98 1y8m h LYS 11 Ca -0.00 -0.04 0.05 0.00 -2.00 0.00 0.00 60.65 58.66 1y8m h LYS 11 Cb 0.92 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.22 1y8m h LYS 11 CO 0.07 0.32 0.20 0.22 -2.00 0.00 0.00 179.45 178.26 1y8m h ASP 12 N 0.17 0.00 -0.44 7.07 1.82 -1.82 -0.37 116.42 122.86 1y8m h ASP 12 Ca 0.04 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.63 1y8m h ASP 12 Cb 0.34 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 1y8m h ASP 12 CO 0.02 0.00 0.13 0.00 -1.61 0.00 0.00 179.24 177.78 1y8m h ALA 13 N 1.75 1.30 0.00 -0.78 0.00 -1.29 -1.68 119.26 118.57 1y8m h ALA 13 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1y8m h ALA 13 Cb 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1y8m h ALA 13 CO -0.00 0.50 0.00 0.66 0.00 0.00 0.00 179.25 180.40 1y8m n TYR 14 N -4.30 0.00 -3.65 0.00 4.01 -0.15 -4.57 117.16 108.51 1y8m n TYR 14 Ca 0.04 -0.15 -0.39 0.00 -0.16 0.00 0.00 57.90 57.24 1y8m n TYR 14 Cb 0.21 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 39.01 1y8m n TYR 14 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1y8m s GLU 15 N -0.55 2.31 1.35 -0.72 -6.30 -0.63 -5.09 118.70 109.06 1y8m s GLU 15 Ca 0.00 -1.75 -0.19 0.00 -2.50 0.00 0.00 54.97 50.53 1y8m s GLU 15 Cb 0.00 -3.78 0.34 0.00 0.00 0.00 0.00 34.13 30.70 1y8m s GLU 15 CO 0.00 -1.12 0.91 -2.30 0.02 0.00 0.00 175.26 172.78 1y8m n PRO 16 N 4.79 -3.81 -4.23 4.30 -0.02 -1.26 -4.87 135.00 129.90 1y8m n PRO 16 Ca -0.06 -1.11 -0.17 0.00 -2.02 0.00 0.00 63.50 60.14 1y8m n PRO 16 Cb 0.41 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.76 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 -7.48 2.42 0.50 2.45 1.43 -1.26 -5.04 118.68 111.70 1y8m s LEU 17 Ca 0.68 -0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1y8m s LEU 17 Cb -0.18 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.55 1y8m s LEU 17 CO 0.61 -0.19 0.75 -0.31 0.23 0.00 0.00 176.35 177.45 1y8m s TYR 18 N -2.34 3.21 0.32 0.29 2.02 -1.26 -4.95 117.35 114.65 1y8m s TYR 18 Ca 0.09 0.36 0.00 0.00 -0.37 0.00 0.00 57.07 57.16 1y8m s TYR 18 Cb -0.04 -2.48 0.54 0.00 -0.40 0.00 0.00 41.96 39.59 1y8m s TYR 18 CO 0.02 -0.54 1.98 -1.00 -1.57 0.00 0.00 175.55 174.44 1y8m h PRO 19 N 0.19 0.96 -0.21 -1.71 0.13 -2.01 -2.15 132.00 127.19 1y8m h PRO 19 Ca -0.46 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.51 1y8m h PRO 19 Cb 1.26 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1y8m h PRO 19 CO 0.58 0.64 -0.30 -0.56 -0.23 0.00 0.00 178.00 178.12 1y8m h GLN 20 N 0.99 0.42 -0.28 0.86 3.07 -1.98 -0.96 115.11 117.24 1y8m h GLN 20 Ca 0.28 -0.17 -0.07 0.00 0.09 0.00 0.00 58.65 58.78 1y8m h GLN 20 Cb -0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.46 1y8m h GLN 20 CO -0.07 0.69 -0.11 1.96 0.09 0.00 0.00 178.83 181.39 1y8m h GLN 21 N 0.37 0.56 -0.06 0.06 1.08 -1.78 -1.71 115.11 113.63 1y8m h GLN 21 Ca 0.05 -0.23 -0.13 0.00 -1.45 0.00 0.00 58.65 56.89 1y8m h GLN 21 Cb 0.72 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1y8m h GLN 21 CO 0.06 0.79 -0.54 1.25 -0.95 0.00 0.00 178.83 179.44 1y8m h LEU 22 N 0.30 0.19 -0.62 1.46 5.85 -1.35 -2.96 115.31 118.19 1y8m h LEU 22 Ca 0.06 -0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1y8m h LEU 22 Cb 0.61 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1y8m h LEU 22 CO 0.04 0.70 -0.69 -0.33 -0.34 0.00 0.00 178.44 177.82 1y8m h GLU 23 N 0.14 0.00 -0.07 1.25 5.08 -1.06 -2.90 114.58 117.01 1y8m h GLU 23 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y8m h GLU 23 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1y8m h GLU 23 CO 0.08 0.69 0.04 0.82 -1.00 0.00 0.00 179.01 179.63 1y8m h ILE 24 N 0.00 1.10 0.00 3.13 2.04 -1.14 0.39 117.51 123.04 1y8m h ILE 24 Ca -0.01 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1y8m h ILE 24 Cb 1.22 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1y8m h ILE 24 CO 0.09 0.09 -0.09 -0.07 0.00 0.00 0.00 178.15 178.17 1y8m h LEU 25 N 0.00 0.00 0.04 1.44 3.38 -1.52 -1.85 115.31 116.80 1y8m h LEU 25 Ca 0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.72 1y8m h LEU 25 Cb 0.11 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.88 1y8m h LEU 25 CO -0.00 0.09 -1.15 -0.09 0.09 0.00 0.00 178.44 177.37 1y8m h ARG 26 N 0.00 0.56 -0.65 1.13 2.43 -1.12 -2.50 114.38 114.22 1y8m h ARG 26 Ca -0.00 -0.70 0.05 0.00 -0.81 0.00 0.00 59.98 58.51 1y8m h ARG 26 Cb 0.16 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 1y8m h ARG 26 CO 0.01 1.30 0.38 0.37 -1.51 0.00 0.00 179.97 180.52 1y8m h GLN 27 N 0.27 0.69 -0.31 0.20 4.15 0.55 0.31 115.11 120.98 1y8m h GLN 27 Ca -0.15 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.09 1y8m h GLN 27 Cb 1.82 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 29.34 1y8m h GLN 27 CO 0.21 0.46 -0.35 1.96 -1.93 0.00 0.00 178.83 179.18 1y8m h GLN 28 N 0.71 0.69 0.12 1.69 1.08 -1.45 0.18 115.11 118.14 1y8m h GLN 28 Ca 0.28 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1y8m h GLN 28 Cb 0.12 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1y8m h GLN 28 CO -0.15 0.94 -0.06 0.28 -0.95 0.00 0.00 178.83 178.89 1y8m h VAL 29 N 0.58 1.07 -0.39 -0.54 2.07 -0.85 -2.73 116.25 115.46 1y8m h VAL 29 Ca 0.06 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1y8m h VAL 29 Cb 0.88 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1y8m h VAL 29 CO 0.08 0.20 0.12 0.58 0.02 0.00 0.00 177.57 178.57 1y8m h VAL 30 N -0.58 1.22 -0.45 2.57 2.07 -0.41 0.17 116.25 120.85 1y8m h VAL 30 Ca -0.02 -0.72 0.13 0.00 0.82 0.00 0.00 66.70 66.92 1y8m h VAL 30 Cb 0.46 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1y8m h VAL 30 CO 0.03 0.25 0.32 -1.28 0.02 0.00 0.00 177.57 176.91 1y8m h SER 31 N 0.49 0.00 0.87 0.57 0.87 -0.66 0.41 113.55 116.09 1y8m h SER 31 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1y8m h SER 31 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1y8m h SER 31 CO -0.00 0.00 -0.17 -0.62 -0.53 0.00 0.00 176.83 175.51 1y8m n GLU 32 N -4.38 0.02 0.00 2.24 -0.58 -0.96 -4.86 120.64 112.12 1y8m n GLU 32 Ca 0.08 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1y8m n GLU 32 Cb 0.53 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 1y8m n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y8m n GLY 33 N 1.49 1.16 3.15 0.62 0.00 0.14 -4.41 105.19 107.34 1y8m n GLY 33 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.34 0.29 -0.02 0.00 0.57 -4.18 105.19 103.19 1y8m n GLY 34 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.75 0.00 1.61 0.11 -1.95 0.19 132.00 132.70 1y8m h PRO 35 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1y8m h PRO 35 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1y8m h PRO 35 CO 0.00 0.50 0.00 0.25 -0.21 0.00 0.00 178.00 178.54 1y8m n THR 36 N -4.74 0.00 -0.99 -1.15 -2.24 -1.26 -4.81 114.28 99.09 1y8m n THR 36 Ca 0.11 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.58 1y8m n THR 36 Cb 0.21 -0.44 0.13 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.85 0.98 6.98 0.00 0.65 -4.83 121.76 125.40 1y8m s ALA 37 Ca 0.10 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 1y8m s ALA 37 Cb 0.05 -3.35 0.18 0.00 0.00 0.00 0.00 23.12 19.99 1y8m s ALA 37 CO 0.08 -2.26 1.08 0.95 0.00 0.00 0.00 175.76 175.61 1y8m s THR 38 N -2.79 2.33 0.10 0.00 -4.23 -1.26 -4.86 115.64 104.94 1y8m s THR 38 Ca 0.64 0.11 -0.17 0.00 -1.18 0.00 0.00 61.69 61.08 1y8m s THR 38 Cb -0.20 -2.38 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 1y8m s THR 38 CO 0.57 -0.14 1.56 0.40 -0.54 0.00 0.00 174.62 176.47 1y8m h ILE 39 N -1.94 1.24 -0.70 2.99 2.04 -1.96 -2.55 117.51 116.63 1y8m h ILE 39 Ca -0.52 -0.86 0.20 0.00 1.00 0.00 0.00 64.86 64.68 1y8m h ILE 39 Cb 1.30 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1y8m h ILE 39 CO 0.51 0.28 0.53 1.56 0.00 0.00 0.00 178.15 181.03 1y8m h GLN 40 N 0.32 0.00 -0.03 2.37 4.20 -1.99 0.47 115.11 120.45 1y8m h GLN 40 Ca 0.09 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1y8m h GLN 40 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1y8m h GLN 40 CO 0.01 0.00 -0.18 0.66 -0.67 0.00 0.00 178.83 178.65 1y8m h SER 41 N 0.00 0.21 -0.23 1.46 4.64 -1.81 -3.13 113.55 114.69 1y8m h SER 41 Ca 0.33 -0.68 -0.14 0.00 -0.47 0.00 0.00 61.79 60.83 1y8m h SER 41 Cb 1.39 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1y8m h SER 41 CO -0.00 0.85 -0.37 0.03 -0.87 0.00 0.00 176.83 176.47 1y8m h ARG 42 N -0.42 0.76 -0.17 4.77 2.47 -0.99 -2.63 114.38 118.17 1y8m h ARG 42 Ca -0.01 -0.38 0.05 0.00 -1.26 0.00 0.00 59.98 58.38 1y8m h ARG 42 Cb 0.85 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.11 1y8m h ARG 42 CO 0.04 1.00 -0.35 0.35 0.56 0.00 0.00 179.97 181.57 1y8m h PHE 43 N 0.63 -0.99 -0.34 3.04 3.04 -0.18 -0.17 116.94 121.97 1y8m h PHE 43 Ca 0.06 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.96 1y8m h PHE 43 Cb 0.91 0.46 -0.02 0.00 2.56 0.00 0.00 35.95 39.87 1y8m h PHE 43 CO 0.05 -0.42 -0.17 -0.91 -2.02 0.00 0.00 178.31 174.84 1y8m h ASN 44 N -0.41 0.61 -0.28 0.41 -0.26 -1.56 -2.36 115.58 111.73 1y8m h ASN 44 Ca 0.10 -0.19 0.05 0.00 -0.56 0.00 0.00 56.30 55.70 1y8m h ASN 44 Cb 0.57 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 1y8m h ASN 44 CO -0.39 0.79 0.19 0.22 -1.06 0.00 0.00 177.43 177.18 1y8m h TYR 45 N 0.56 0.18 0.00 1.19 3.20 -0.82 -0.15 116.97 121.13 1y8m h TYR 45 Ca 0.09 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.79 1y8m h TYR 45 Cb 0.60 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1y8m h TYR 45 CO 0.02 0.10 -0.82 0.00 -1.64 0.00 0.00 178.16 175.82 1y8m h ALA 46 N 1.85 0.64 -0.08 1.82 0.00 -0.54 -3.05 119.26 119.89 1y8m h ALA 46 Ca 0.12 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1y8m h ALA 46 Cb 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1y8m h ALA 46 CO -0.02 1.02 -0.02 2.35 0.00 0.00 0.00 179.25 182.58 1y8m h TRP 47 N 0.01 0.18 -0.79 0.00 2.91 -0.85 -2.68 115.95 114.72 1y8m h TRP 47 Ca -0.01 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 1y8m h TRP 47 Cb 1.46 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 30.02 1y8m h TRP 47 CO 0.00 0.47 0.42 0.78 -1.03 0.00 0.00 178.44 179.08 1y8m h GLY 48 N -0.16 1.18 2.00 2.65 0.00 -1.50 -1.37 103.07 105.87 1y8m h GLY 48 Ca 0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1y8m h GLY 48 CO 0.01 0.52 -0.13 1.41 0.00 0.00 0.00 176.54 178.35 1y8m h LEU 49 N 1.11 0.00 -0.09 3.11 3.38 -1.45 -2.12 115.31 119.25 1y8m h LEU 49 Ca 0.28 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.04 1y8m h LEU 49 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1y8m h LEU 49 CO -0.04 0.13 -0.97 0.40 0.09 0.00 0.00 178.44 178.05 1y8m h ILE 50 N 0.00 1.66 0.00 1.22 2.04 -0.91 -3.11 117.51 118.41 1y8m h ILE 50 Ca -0.00 -3.22 0.00 0.00 1.00 0.00 0.00 64.86 62.64 1y8m h ILE 50 Cb 0.25 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1y8m h ILE 50 CO 0.02 0.92 0.00 0.29 0.00 0.00 0.00 178.15 179.38 1y8m n LYS 51 N -3.43 0.03 -1.09 2.37 4.76 -0.81 -4.80 118.16 115.19 1y8m n LYS 51 Ca -0.01 0.15 -0.31 0.00 -2.87 0.00 0.00 58.31 55.27 1y8m n LYS 51 Cb 0.90 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 32.71 1y8m n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1y8m s SER 52 N -2.95 3.91 0.00 4.39 0.15 -1.13 -4.26 113.70 113.81 1y8m s SER 52 Ca 0.11 2.02 0.03 0.00 0.70 0.00 0.00 55.95 58.81 1y8m s SER 52 Cb 0.13 -2.55 -0.25 0.00 -1.71 0.00 0.00 66.02 61.64 1y8m s SER 52 CO 0.36 -2.44 0.85 0.71 1.20 0.00 0.00 173.24 173.92 1y8m h THR 53 N -1.26 1.14 -4.10 6.45 1.35 -1.89 -3.46 112.91 111.13 1y8m h THR 53 Ca -0.44 -2.86 -0.48 0.00 -0.55 0.00 0.00 66.41 62.08 1y8m h THR 53 Cb 1.25 2.66 0.04 0.00 -1.73 0.00 0.00 68.15 70.38 1y8m h THR 53 CO 0.48 0.76 0.39 1.51 -0.25 0.00 0.00 175.52 178.41 1y8m s ASP 54 N -6.68 6.10 0.35 5.36 -4.77 -1.26 -4.94 116.67 110.84 1y8m s ASP 54 Ca -0.07 1.96 0.24 0.00 -3.30 0.00 0.00 52.55 51.39 1y8m s ASP 54 Cb 0.08 -2.56 0.52 0.00 -1.09 0.00 0.00 42.92 39.87 1y8m s ASP 54 CO 0.83 -0.95 1.67 1.62 0.70 0.00 0.00 175.17 179.05 1y8m h VAL 55 N 1.28 0.00 -0.08 2.11 3.04 -1.97 -3.31 116.25 117.32 1y8m h VAL 55 Ca -0.49 -0.80 0.02 0.00 -1.01 0.00 0.00 66.70 64.42 1y8m h VAL 55 Cb 1.23 1.80 -0.02 0.00 -2.01 0.00 0.00 31.29 32.28 1y8m h VAL 55 CO 0.58 0.00 -0.06 0.78 -1.01 0.00 0.00 177.57 177.87 1y8m h ASN 56 N 0.00 -0.17 0.20 3.17 2.35 -1.96 -1.88 115.58 117.27 1y8m h ASN 56 Ca 0.00 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1y8m h ASN 56 Cb 0.90 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 1y8m h ASN 56 CO 0.00 -0.08 -0.31 0.44 -1.65 0.00 0.00 177.43 175.84 1y8m h ASP 57 N -0.06 0.18 -0.43 5.81 5.19 -1.83 -2.94 116.42 122.35 1y8m h ASP 57 Ca 0.05 -0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 1y8m h ASP 57 Cb 0.14 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 1y8m h ASP 57 CO -0.12 0.49 0.05 -0.33 -3.12 0.00 0.00 179.24 176.21 1y8m h GLU 58 N 0.16 0.72 0.00 3.56 3.07 -1.46 -0.97 114.58 119.67 1y8m h GLU 58 Ca 0.02 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.64 1y8m h GLU 58 Cb 0.63 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1y8m h GLU 58 CO 0.05 0.77 -0.16 0.00 -1.40 0.00 0.00 179.01 178.27 1y8m h ARG 59 N 0.57 0.00 0.04 2.33 3.08 -1.22 -1.27 114.38 117.91 1y8m h ARG 59 Ca 0.13 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.99 1y8m h ARG 59 Cb 0.41 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.48 1y8m h ARG 59 CO 0.01 0.16 -0.76 1.25 -1.07 0.00 0.00 179.97 179.56 1y8m h LEU 60 N 0.00 0.60 -0.58 3.04 5.85 -1.25 -3.05 115.31 119.92 1y8m h LEU 60 Ca -0.00 -0.80 -0.04 0.00 0.84 0.00 0.00 57.88 57.88 1y8m h LEU 60 Cb 0.35 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1y8m h LEU 60 CO 0.02 1.33 0.22 1.23 -0.34 0.00 0.00 178.44 180.90 1y8m h GLY 61 N -0.06 0.94 0.63 3.75 0.00 -0.77 -2.22 103.07 105.34 1y8m h GLY 61 Ca -0.11 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 46.74 1y8m h GLY 61 CO 0.15 0.50 0.08 -2.08 0.00 0.00 0.00 176.54 175.19 1y8m h VAL 62 N 0.80 0.85 -0.26 4.60 2.07 -1.32 -0.15 116.25 122.85 1y8m h VAL 62 Ca 0.19 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.66 1y8m h VAL 62 Cb 0.23 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1y8m h VAL 62 CO -0.01 0.04 0.11 0.50 0.02 0.00 0.00 177.57 178.23 1y8m h LYS 63 N 0.21 0.24 -0.16 1.57 3.64 -1.38 -0.94 116.57 119.75 1y8m h LYS 63 Ca 0.16 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1y8m h LYS 63 Cb 0.16 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1y8m h LYS 63 CO -0.19 0.16 0.01 0.82 -2.27 0.00 0.00 179.45 177.98 1y8m h ILE 64 N 0.25 0.91 -0.17 2.00 2.04 -0.81 0.94 117.51 122.67 1y8m h ILE 64 Ca 0.11 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 66.00 1y8m h ILE 64 Cb 0.05 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1y8m h ILE 64 CO -0.09 0.01 0.13 -0.07 0.00 0.00 0.00 178.15 178.13 1y8m h LEU 65 N 0.07 0.00 0.00 1.44 3.38 -0.65 0.12 115.31 119.67 1y8m h LEU 65 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1y8m h LEU 65 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1y8m h LEU 65 CO -0.11 0.00 -0.75 0.74 0.09 0.00 0.00 178.44 178.41 1y8m h THR 66 N 0.00 1.14 -0.00 0.22 2.02 0.16 -2.07 112.91 114.38 1y8m h THR 66 Ca 0.08 -2.63 -0.09 0.00 0.77 0.00 0.00 66.41 64.54 1y8m h THR 66 Cb 0.34 2.55 0.01 0.00 -1.74 0.00 0.00 68.15 69.30 1y8m h THR 66 CO -0.00 0.65 -0.34 -0.78 0.37 0.00 0.00 175.52 175.42 1y8m h ASP 67 N 0.00 0.30 0.33 4.18 1.82 0.13 -2.97 116.42 120.21 1y8m h ASP 67 Ca -0.02 -0.77 -0.05 0.00 -0.39 0.00 0.00 57.03 55.79 1y8m h ASP 67 Cb 1.54 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.45 1y8m h ASP 67 CO 0.09 1.04 -0.25 0.40 -1.61 0.00 0.00 179.24 178.90 1y8m h ILE 68 N -0.40 1.04 0.04 2.25 2.04 -0.94 -1.23 117.51 120.31 1y8m h ILE 68 Ca -0.04 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1y8m h ILE 68 Cb 1.09 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1y8m h ILE 68 CO 0.07 0.25 -0.02 0.22 0.00 0.00 0.00 178.15 178.67 1y8m h TYR 69 N 0.00 -0.05 0.00 1.37 5.03 -1.33 -2.60 116.97 119.39 1y8m h TYR 69 Ca -0.00 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1y8m h TYR 69 Cb 0.49 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.78 1y8m h TYR 69 CO 0.00 0.06 -0.16 0.87 -1.32 0.00 0.00 178.16 177.61 1y8m h LYS 70 N -0.14 0.00 -1.02 1.82 1.57 -1.33 -3.21 116.57 114.26 1y8m h LYS 70 Ca -0.01 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1y8m h LYS 70 Cb 0.13 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.15 1y8m h LYS 70 CO 0.01 0.16 0.85 0.39 -0.57 0.00 0.00 179.45 180.29 1y8m n GLU 71 N -3.23 2.63 -2.81 3.15 -0.58 -0.49 -4.74 120.64 114.57 1y8m n GLU 71 Ca 0.01 -3.21 -0.00 0.00 -0.42 0.00 0.00 57.16 53.54 1y8m n GLU 71 Cb 0.46 -2.26 0.01 0.00 -0.57 0.00 0.00 31.44 29.09 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1y8m s ALA 72 N -3.73 -3.92 -0.29 0.62 0.00 -1.12 -4.93 121.76 108.40 1y8m s ALA 72 Ca 0.63 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 53.34 1y8m s ALA 72 Cb 0.50 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1y8m s ALA 72 CO -0.00 -2.44 1.38 -1.91 0.00 0.00 0.00 175.76 172.79 1y8m n GLU 73 N 3.46 0.64 0.00 0.00 4.07 -1.26 -3.49 120.64 124.06 1y8m n GLU 73 Ca 0.09 -0.84 0.00 0.00 -0.06 0.00 0.00 57.16 56.35 1y8m n GLU 73 Cb 0.62 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.82 1y8m n GLU 73 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1y8m n SER 74 N 5.05 0.00 0.00 4.31 7.64 -1.26 -4.92 113.62 124.44 1y8m n SER 74 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1y8m n SER 74 Cb 0.07 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1y8m n SER 74 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1y8m n ARG 75 N -1.19 0.00 -0.34 1.43 3.00 -1.23 -1.99 116.66 116.35 1y8m n ARG 75 Ca 0.00 0.15 0.14 0.00 -0.00 0.00 0.00 57.85 58.14 1y8m n ARG 75 Cb 0.00 -1.81 0.33 0.00 0.00 0.00 0.00 32.46 30.98 1y8m n ARG 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1y8m h ARG 76 N 0.00 0.61 -0.56 -0.14 3.08 -1.85 0.35 114.38 115.86 1y8m h ARG 76 Ca 0.00 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.10 1y8m h ARG 76 Cb 0.61 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 1y8m h ARG 76 CO 0.00 0.40 0.19 0.07 -1.07 0.00 0.00 179.97 179.56 1y8m h ARG 77 N 0.63 0.34 -0.30 0.04 0.11 -1.77 0.13 114.38 113.56 1y8m h ARG 77 Ca 0.58 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 60.50 1y8m h ARG 77 Cb 1.00 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.00 1y8m h ARG 77 CO -0.43 0.23 -0.38 0.93 0.10 0.00 0.00 179.97 180.42 1y8m h GLU 78 N 0.35 0.78 -0.47 0.08 5.08 -1.22 -3.06 114.58 116.12 1y8m h GLU 78 Ca 0.28 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1y8m h GLU 78 Cb 0.35 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1y8m h GLU 78 CO -0.30 1.07 0.30 0.00 -1.00 0.00 0.00 179.01 179.08 1y8m h LEU 80 N 0.60 0.82 0.01 0.00 3.38 -0.74 0.63 115.31 120.01 1y8m h LEU 80 Ca 0.18 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1y8m h LEU 80 Cb -0.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1y8m h LEU 80 CO -0.06 0.42 -0.00 0.22 0.09 0.00 0.00 178.44 179.11 1y8m h TYR 81 N 0.89 -0.01 0.00 1.13 3.20 -1.23 -2.52 116.97 118.44 1y8m h TYR 81 Ca 0.48 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.30 1y8m h TYR 81 Cb 0.50 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1y8m h TYR 81 CO -0.03 0.35 -0.24 1.88 -1.64 0.00 0.00 178.16 178.48 1y8m h TYR 82 N -0.37 0.00 -0.43 -3.82 0.05 -0.49 -2.56 116.97 109.35 1y8m h TYR 82 Ca -0.00 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1y8m h TYR 82 Cb 0.36 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1y8m h TYR 82 CO 0.05 0.24 -0.26 -0.07 -1.05 0.00 0.00 178.16 177.08 1y8m h LEU 83 N 0.00 0.95 -0.73 3.88 3.38 0.39 0.22 115.31 123.41 1y8m h LEU 83 Ca -0.00 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.62 1y8m h LEU 83 Cb 0.52 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1y8m h LEU 83 CO 0.03 1.14 0.47 0.74 0.09 0.00 0.00 178.44 180.91 1y8m h THR 84 N 0.78 1.14 -0.02 0.22 2.02 -1.03 0.67 112.91 116.70 1y8m h THR 84 Ca 0.10 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1y8m h THR 84 Cb 0.82 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1y8m h THR 84 CO 0.07 0.17 -0.05 0.40 0.37 0.00 0.00 175.52 176.49 1y8m h ILE 85 N 0.94 1.46 -0.09 3.11 2.04 -1.37 0.22 117.51 123.82 1y8m h ILE 85 Ca 0.28 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 1y8m h ILE 85 Cb -0.04 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1y8m h ILE 85 CO -0.08 0.38 -0.03 1.23 0.00 0.00 0.00 178.15 179.65 1y8m h GLY 86 N -0.50 0.13 1.19 5.37 0.00 -0.33 -2.39 103.07 106.53 1y8m h GLY 86 Ca -0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 47.33 46.98 1y8m h GLY 86 CO 0.01 0.06 -1.19 0.00 0.00 0.00 0.00 176.54 175.42 1y8m h TYR 88 N 0.25 0.11 0.00 0.00 3.20 -0.42 0.32 116.97 120.41 1y8m h TYR 88 Ca -0.18 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.66 1y8m h TYR 88 Cb 1.86 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 40.10 1y8m h TYR 88 CO 0.12 0.05 -0.15 -0.22 -1.64 0.00 0.00 178.16 176.32 1y8m h LYS 89 N 0.10 0.00 -0.47 1.82 1.63 -1.55 -2.50 116.57 115.60 1y8m h LYS 89 Ca 0.23 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1y8m h LYS 89 Cb 0.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1y8m h LYS 89 CO -0.02 0.15 0.00 1.28 -3.45 0.00 0.00 179.45 177.40 1y8m n LEU 90 N -3.23 4.57 -1.93 5.20 4.77 0.99 -4.93 117.00 122.44 1y8m n LEU 90 Ca 0.01 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.26 1y8m n LEU 90 Cb 0.45 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1y8m n LEU 90 CO 0.32 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1y8m n GLY 91 N 0.38 -0.33 1.84 -0.72 0.00 -0.45 -4.68 105.19 101.24 1y8m n GLY 91 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 1y8m n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y8m n GLU 92 N -1.90 1.63 0.16 1.61 1.02 -1.07 -4.60 120.64 117.49 1y8m n GLU 92 Ca 0.00 -0.80 0.04 0.00 -0.02 0.00 0.00 57.16 56.38 1y8m n GLU 92 Cb 0.33 -1.59 0.20 0.00 -0.02 0.00 0.00 31.44 30.36 1y8m n GLU 92 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1y8m n TYR 93 N 1.74 0.25 -0.16 -0.32 4.01 -1.26 -0.37 117.16 121.06 1y8m n TYR 93 Ca 0.26 0.13 -0.11 0.00 -0.16 0.00 0.00 57.90 58.02 1y8m n TYR 93 Cb 0.69 -0.38 -0.01 0.00 -0.31 0.00 0.00 39.34 39.33 1y8m n TYR 93 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1y8m h SER 94 N 0.00 0.93 0.02 7.72 4.64 -1.97 0.52 113.55 125.40 1y8m h SER 94 Ca 0.00 -0.38 -0.16 0.00 -0.47 0.00 0.00 61.79 60.78 1y8m h SER 94 Cb 0.96 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1y8m h SER 94 CO 0.00 1.09 -0.64 0.24 -0.87 0.00 0.00 176.83 176.65 1y8m h MET 95 N 0.75 0.40 -0.55 4.77 2.86 -1.10 -3.08 114.93 118.98 1y8m h MET 95 Ca 0.11 -0.46 0.04 0.00 -2.06 0.00 0.00 59.70 57.34 1y8m h MET 95 Cb 0.71 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 1y8m h MET 95 CO 0.05 1.13 0.29 0.00 1.06 0.00 0.00 176.91 179.45 1y8m h ALA 96 N 0.29 0.71 -0.33 6.32 0.00 -1.48 -1.65 119.26 123.12 1y8m h ALA 96 Ca -0.09 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1y8m h ALA 96 Cb 1.37 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1y8m h ALA 96 CO 0.13 -0.04 0.09 -0.22 0.00 0.00 0.00 179.25 179.21 1y8m h LYS 97 N 0.57 0.22 -0.62 0.00 3.64 -0.94 0.77 116.57 120.21 1y8m h LYS 97 Ca 0.24 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 1y8m h LYS 97 Cb 0.12 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1y8m h LYS 97 CO -0.15 0.14 0.09 -0.09 -2.27 0.00 0.00 179.45 177.18 1y8m h ARG 98 N 0.22 1.00 0.07 1.90 2.43 -1.34 -1.89 114.38 116.77 1y8m h ARG 98 Ca 0.15 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1y8m h ARG 98 Cb 0.15 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1y8m h ARG 98 CO -0.18 0.93 -0.03 1.88 -1.51 0.00 0.00 179.97 181.06 1y8m h TYR 99 N 0.94 -0.08 -0.52 2.20 0.05 -0.85 -2.75 116.97 115.97 1y8m h TYR 99 Ca 0.19 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.02 1y8m h TYR 99 Cb 0.42 0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 1y8m h TYR 99 CO 0.03 0.48 0.35 -0.24 -1.05 0.00 0.00 178.16 177.73 1y8m h VAL 100 N -0.75 0.99 0.18 -2.88 3.04 -0.89 -1.03 116.25 114.90 1y8m h VAL 100 Ca -0.01 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.51 1y8m h VAL 100 Cb 0.60 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1y8m h VAL 100 CO 0.02 0.09 -0.08 -0.78 -1.01 0.00 0.00 177.57 175.80 1y8m h ASP 101 N 0.49 -0.20 -0.19 3.17 3.58 -1.34 0.29 116.42 122.21 1y8m h ASP 101 Ca 0.22 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.55 1y8m h ASP 101 Cb 0.27 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1y8m h ASP 101 CO -0.06 0.02 0.10 0.74 -2.88 0.00 0.00 179.24 177.16 1y8m h THR 102 N -0.42 1.01 -0.21 2.25 2.02 -1.09 -2.21 112.91 114.26 1y8m h THR 102 Ca -0.02 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1y8m h THR 102 Cb 0.32 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1y8m h THR 102 CO 0.04 0.04 -0.13 0.25 0.37 0.00 0.00 175.52 176.08 1y8m h LEU 103 N 0.22 0.32 -1.62 2.58 5.85 -1.13 -2.43 115.31 119.09 1y8m h LEU 103 Ca 0.08 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1y8m h LEU 103 Cb 0.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1y8m h LEU 103 CO -0.05 0.49 -0.10 0.15 -0.34 0.00 0.00 178.44 178.60 1y8m h PHE 104 N 0.32 0.12 -0.98 1.25 3.57 0.19 -2.30 116.94 119.12 1y8m h PHE 104 Ca 0.06 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1y8m h PHE 104 Cb 0.43 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 1y8m h PHE 104 CO 0.01 0.22 0.63 0.93 -2.23 0.00 0.00 178.31 177.87 1y8m h GLU 105 N 0.12 1.09 0.00 1.11 4.39 -1.14 -3.44 114.58 116.71 1y8m h GLU 105 Ca 0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1y8m h GLU 105 Cb 0.25 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1y8m h GLU 105 CO 0.01 0.72 0.00 0.72 -1.16 0.00 0.00 179.01 179.30 1y8m n HIS 106 N -4.50 0.00 -1.57 4.33 8.25 -0.86 -5.11 115.22 115.75 1y8m n HIS 106 Ca 0.15 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.63 1y8m n HIS 106 Cb 0.20 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 1y8m n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1y8m n GLU 107 N 0.00 -0.22 0.00 -0.41 2.13 -1.25 -4.97 120.64 115.92 1y8m n GLU 107 Ca 0.00 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1y8m n GLU 107 Cb 0.00 -0.27 0.00 0.00 0.27 0.00 0.00 31.44 31.44 1y8m n GLU 107 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1y8m n ARG 108 N -0.97 0.00 -1.64 5.31 3.00 -1.26 -4.97 116.66 116.12 1y8m n ARG 108 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.40 1y8m n ARG 108 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.49 1y8m n ARG 108 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1y8m n ASN 109 N 0.00 2.21 -0.69 6.15 5.03 -1.26 -4.86 115.26 121.84 1y8m n ASN 109 Ca 0.00 1.16 0.12 0.00 0.87 0.00 0.00 54.58 56.73 1y8m n ASN 109 Cb 0.00 -1.37 0.17 0.00 -1.02 0.00 0.00 39.78 37.55 1y8m n ASN 109 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1y8m n ASN 110 N 1.66 2.30 0.00 6.41 5.03 -1.26 -4.51 115.26 124.89 1y8m n ASN 110 Ca 0.10 -1.68 -0.12 0.00 0.87 0.00 0.00 54.58 53.75 1y8m n ASN 110 Cb 0.31 0.15 -0.06 0.00 -1.02 0.00 0.00 39.78 39.16 1y8m n ASN 110 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1y8m h LYS 111 N 3.36 -0.46 0.00 3.52 1.57 -1.98 2.40 116.57 124.98 1y8m h LYS 111 Ca 0.00 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1y8m h LYS 111 Cb 0.80 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1y8m h LYS 111 CO 0.00 -0.31 -0.34 1.96 -0.57 0.00 0.00 179.45 180.19 1y8m h GLN 112 N -0.48 0.00 0.00 3.15 1.08 -1.99 -2.22 115.11 114.64 1y8m h GLN 112 Ca 0.08 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.12 1y8m h GLN 112 Cb 0.62 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.06 1y8m h GLN 112 CO -0.39 0.34 -0.62 0.28 -0.95 0.00 0.00 178.83 177.49 1y8m h VAL 113 N 0.00 1.43 -0.34 -0.54 2.07 -1.38 0.31 116.25 117.81 1y8m h VAL 113 Ca -0.00 -2.10 -0.00 0.00 0.82 0.00 0.00 66.70 65.41 1y8m h VAL 113 Cb 0.79 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 1y8m h VAL 113 CO 0.04 0.61 0.20 1.23 0.02 0.00 0.00 177.57 179.67 1y8m h GLY 114 N -0.10 0.48 0.74 2.17 0.00 0.41 0.13 103.07 106.92 1y8m h GLY 114 Ca -0.08 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 46.84 1y8m h GLY 114 CO 0.12 0.19 -0.97 0.00 0.00 0.00 0.00 176.54 175.88 1y8m h ALA 115 N 1.76 -0.07 -0.05 3.60 0.00 -1.34 -2.81 119.26 120.35 1y8m h ALA 115 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1y8m h ALA 115 Cb -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1y8m h ALA 115 CO -0.02 0.47 0.03 1.25 0.00 0.00 0.00 179.25 180.98 1y8m h LEU 116 N -0.30 0.06 -1.79 0.00 5.85 0.13 -1.41 115.31 117.85 1y8m h LEU 116 Ca -0.18 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1y8m h LEU 116 Cb 1.72 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 1y8m h LEU 116 CO 0.16 0.05 0.06 0.07 -0.34 0.00 0.00 178.44 178.44 1y8m h LYS 117 N 0.06 0.20 -0.53 1.25 2.10 -0.87 -1.44 116.57 117.34 1y8m h LYS 117 Ca 0.02 -0.02 0.09 0.00 -2.00 0.00 0.00 60.65 58.74 1y8m h LYS 117 Cb 0.00 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.26 1y8m h LYS 117 CO -0.00 0.17 0.36 0.66 -2.00 0.00 0.00 179.45 178.63 1y8m h SER 118 N 0.20 0.31 -0.11 7.07 4.64 -0.98 0.61 113.55 125.30 1y8m h SER 118 Ca 0.05 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 1y8m h SER 118 Cb 0.04 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1y8m h SER 118 CO -0.01 0.19 -0.48 0.24 -0.87 0.00 0.00 176.83 175.91 1y8m h MET 119 N 0.35 0.51 0.13 4.77 2.86 -1.11 -0.69 114.93 121.75 1y8m h MET 119 Ca 0.24 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1y8m h MET 119 Cb 0.49 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1y8m h MET 119 CO -0.06 1.04 -0.06 0.28 1.06 0.00 0.00 176.91 179.17 1y8m h VAL 120 N 0.11 0.99 -0.19 -2.22 2.07 -1.08 -0.97 116.25 114.96 1y8m h VAL 120 Ca -0.03 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 1y8m h VAL 120 Cb 1.12 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1y8m h VAL 120 CO 0.10 0.12 -0.37 -0.33 0.02 0.00 0.00 177.57 177.11 1y8m h GLU 121 N -0.41 0.40 -0.34 1.57 3.07 0.09 -1.79 114.58 117.17 1y8m h GLU 121 Ca -0.02 -0.18 -0.13 0.00 -0.50 0.00 0.00 59.36 58.53 1y8m h GLU 121 Cb 0.33 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1y8m h GLU 121 CO 0.03 0.72 -0.32 0.22 -1.40 0.00 0.00 179.01 178.25 1y8m h ASP 122 N 0.34 0.78 0.43 1.42 3.58 -1.06 -2.46 116.42 119.45 1y8m h ASP 122 Ca 0.04 -0.32 -0.19 0.00 0.42 0.00 0.00 57.03 56.98 1y8m h ASP 122 Cb 0.81 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1y8m h ASP 122 CO 0.06 1.04 -0.80 0.11 -2.88 0.00 0.00 179.24 176.77 1y8m h LYS 123 N 0.63 0.28 0.00 0.28 1.79 -0.98 -2.96 116.57 115.61 1y8m h LYS 123 Ca 0.07 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 1y8m h LYS 123 Cb 0.85 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1y8m h LYS 123 CO 0.07 0.94 -0.09 0.82 -1.08 0.00 0.00 179.45 180.11 1y8m h ILE 124 N 0.17 0.21 -0.16 1.86 2.04 -1.23 -2.72 117.51 117.69 1y8m h ILE 124 Ca -0.04 -0.90 -0.16 0.00 1.00 0.00 0.00 64.86 64.76 1y8m h ILE 124 Cb 1.39 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1y8m h ILE 124 CO 0.13 0.09 -0.58 1.56 0.00 0.00 0.00 178.15 179.35 1y8m h GLN 125 N 0.00 0.50 -0.30 2.37 1.08 -1.28 -2.85 115.11 114.64 1y8m h GLN 125 Ca -0.00 -0.33 -0.08 0.00 -1.45 0.00 0.00 58.65 56.79 1y8m h GLN 125 Cb 0.74 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 1y8m h GLN 125 CO 0.01 0.94 -0.14 0.87 -0.95 0.00 0.00 178.83 179.56 1y8m h LYS 126 N 0.38 0.51 0.00 1.46 1.79 -1.40 -1.44 116.57 117.87 1y8m h LYS 126 Ca 0.00 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1y8m h LYS 126 Cb 1.13 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1y8m h LYS 126 CO 0.11 0.65 0.28 0.39 -1.08 0.00 0.00 179.45 179.79 1y8m n GLU 127 N -4.19 0.06 0.00 3.15 1.02 -1.07 -0.85 120.64 118.76 1y8m n GLU 127 Ca 0.00 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1y8m n GLU 127 Cb 0.34 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1y8m n GLU 127 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1y8m n THR 128 N -1.77 0.00 -2.93 2.62 -1.04 -0.54 -4.94 114.28 105.67 1y8m n THR 128 Ca -0.01 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.01 1y8m n THR 128 Cb 0.29 -0.25 -0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1y8m n THR 128 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1y8m n LEU 129 N -0.35 0.00 -4.24 -4.42 4.77 -0.03 -4.69 117.00 108.05 1y8m n LEU 129 Ca 0.00 0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.76 1y8m n LEU 129 Cb 0.03 -0.15 0.22 0.00 -2.33 0.00 0.00 43.42 41.19 1y8m n LEU 129 CO 0.00 -0.96 0.07 0.29 -1.33 0.00 0.00 177.39 175.46 1y8m n LYS 130 N -1.30 -2.94 -0.36 3.23 5.02 -1.26 -4.97 118.16 115.58 1y8m n LYS 130 Ca 0.00 -0.86 -0.00 0.00 -2.02 0.00 0.00 58.31 55.43 1y8m n LYS 130 Cb 0.02 -1.81 -0.00 0.00 -0.02 0.00 0.00 35.03 33.22 1y8m n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y8m n GLY 131 N 1.88 0.65 0.20 0.72 0.00 -1.26 -4.95 105.19 102.42 1y8m n GLY 131 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1y8m n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1y8m h VAL 132 N 3.38 1.24 -0.11 1.61 2.07 -1.93 -2.18 116.25 120.32 1y8m h VAL 132 Ca -0.02 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1y8m h VAL 132 Cb 0.70 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1y8m h VAL 132 CO -0.01 0.32 0.09 1.62 0.02 0.00 0.00 177.57 179.61 1y8m h VAL 133 N 0.03 0.76 -3.06 2.57 3.04 -1.96 -3.39 116.25 114.25 1y8m h VAL 133 Ca 0.00 0.00 -0.57 0.00 -1.01 0.00 0.00 66.70 65.12 1y8m h VAL 133 Cb 0.58 0.93 -0.04 0.00 -2.01 0.00 0.00 31.29 30.75 1y8m h VAL 133 CO 0.04 0.00 1.07 -0.69 -1.01 0.00 0.00 177.57 176.99 1y8m s VAL 134 N -4.89 3.88 -0.88 1.51 1.01 -0.82 -4.90 120.40 115.32 1y8m s VAL 134 Ca -0.05 0.95 -0.25 0.00 0.00 0.00 0.00 61.98 62.63 1y8m s VAL 134 Cb 0.17 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 1y8m s VAL 134 CO 0.63 -0.53 2.19 0.00 0.00 0.00 0.00 175.10 177.39 1y8m s ALA 135 N 5.21 1.07 0.00 5.51 0.00 -1.26 -3.04 121.76 129.26 1y8m s ALA 135 Ca 0.64 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1y8m s ALA 135 Cb -0.18 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.35 1y8m s ALA 135 CO 0.29 -5.58 0.00 0.41 0.00 0.00 0.00 175.76 170.88 1y8m n GLY 136 N 6.72 0.33 3.55 0.00 0.00 -1.26 -5.07 105.19 109.46 1y8m n GLY 136 Ca 0.44 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 1y8m n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y8m s GLY 137 N 0.00 0.57 0.32 -0.02 0.00 -1.17 -4.98 107.32 102.05 1y8m s GLY 137 Ca 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 44.72 43.42 1y8m s GLY 137 CO 0.00 3.07 0.17 3.33 0.00 0.00 0.00 173.10 179.67 1y8m n VAL 138 N 6.99 0.00 -1.73 1.40 0.24 -1.26 -4.87 118.33 119.10 1y8m n VAL 138 Ca 0.19 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.16 1y8m n VAL 138 Cb 0.50 -0.19 0.05 0.00 -1.47 0.00 0.00 33.84 32.73 1y8m n VAL 138 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1y8m s HIS 139 N -1.09 2.47 0.00 6.34 0.09 -1.26 -5.00 115.29 116.84 1y8m s HIS 139 Ca 0.13 1.56 0.00 0.00 -0.00 0.00 0.00 55.06 56.75 1y8m s HIS 139 Cb -0.02 -3.26 0.00 0.00 -0.00 0.00 0.00 32.58 29.29 1y8m s HIS 139 CO 0.11 -1.92 0.14 0.72 -0.00 0.00 0.00 174.74 173.79 1y8m n HIS 140 N -2.37 0.00 -2.52 1.40 -0.00 -1.26 -4.94 115.22 105.53 1y8m n HIS 140 Ca 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.63 1y8m n HIS 140 Cb 0.51 -0.06 0.11 0.00 -0.00 0.00 0.00 29.99 30.55 1y8m n HIS 140 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1y8m n HIS 141 N -0.69 -3.05 -3.66 4.41 1.44 -1.26 -5.13 115.22 107.29 1y8m n HIS 141 Ca 0.00 -1.49 -0.09 0.00 -2.01 0.00 0.00 57.72 54.13 1y8m n HIS 141 Cb 0.00 -0.64 -0.02 0.00 0.12 0.00 0.00 29.99 29.45 1y8m n HIS 141 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1y8m s HIS 142 N -2.66 -0.35 0.67 -1.40 2.46 -1.26 -5.15 115.29 107.61 1y8m s HIS 142 Ca 0.57 0.00 -0.17 0.00 0.47 0.00 0.00 55.06 55.94 1y8m s HIS 142 Cb -0.03 0.64 0.00 0.00 -0.13 0.00 0.00 32.58 33.06 1y8m s HIS 142 CO 0.38 -1.06 1.26 -1.01 -2.47 0.00 0.00 174.74 171.84 1y8m s HIS 143 N -3.83 2.08 -2.00 3.88 3.76 -1.26 -5.29 115.29 112.63 1y8m s HIS 143 Ca 0.06 1.53 0.23 0.00 -0.15 0.00 0.00 55.06 56.73 1y8m s HIS 143 Cb -0.04 -3.61 1.36 0.00 1.11 0.00 0.00 32.58 31.40 1y8m s HIS 143 CO -0.02 -2.78 1.73 -2.39 -0.85 0.00 0.00 174.74 170.42