#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 2.88 -1.18 2.03 -2.24 -1.26 -4.81 114.28 109.70 1y8m n THR 2 Ca 0.00 -2.84 -0.34 0.00 -2.27 0.00 0.00 64.05 58.59 1y8m n THR 2 Cb 0.00 -2.33 -0.02 0.00 -2.10 0.00 0.00 70.33 65.87 1y8m n THR 2 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1y8m n LYS 3 N 7.73 2.95 0.00 -0.78 4.76 -1.26 -3.55 118.16 128.01 1y8m n LYS 3 Ca 0.48 -2.00 0.00 0.00 -2.87 0.00 0.00 58.31 53.92 1y8m n LYS 3 Cb 0.44 -2.76 0.00 0.00 -1.84 0.00 0.00 35.03 30.87 1y8m n LYS 3 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1y8m n VAL 4 N 4.13 0.00 -1.96 -0.18 0.31 -1.26 -5.03 118.33 114.34 1y8m n VAL 4 Ca 0.63 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.53 1y8m n VAL 4 Cb 0.23 -0.17 -0.03 0.00 -0.91 0.00 0.00 33.84 32.97 1y8m n VAL 4 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1y8m s ASP 5 N -1.71 6.29 0.00 4.52 -4.77 -1.23 -4.82 116.67 114.95 1y8m s ASP 5 Ca 0.00 1.91 0.26 0.00 -3.30 0.00 0.00 52.55 51.42 1y8m s ASP 5 Cb 0.00 -2.53 1.50 0.00 -1.09 0.00 0.00 42.92 40.81 1y8m s ASP 5 CO 0.00 -1.28 1.90 0.49 0.70 0.00 0.00 175.17 176.98 1y8m n PHE 6 N 8.60 0.00 -3.41 2.11 3.01 -1.26 -4.52 117.46 121.99 1y8m n PHE 6 Ca 0.20 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.53 1y8m n PHE 6 Cb 0.44 -0.06 -0.10 0.00 -0.01 0.00 0.00 39.48 39.75 1y8m n PHE 6 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1y8m s TRP 7 N -2.12 -0.58 0.63 1.38 0.51 -1.26 -5.03 118.94 112.48 1y8m s TRP 7 Ca 0.36 0.49 -0.10 0.00 -2.12 0.00 0.00 56.10 54.72 1y8m s TRP 7 Cb 0.18 -0.18 0.16 0.00 -0.81 0.00 0.00 33.47 32.82 1y8m s TRP 7 CO 0.32 -0.70 0.36 -2.30 -0.51 0.00 0.00 176.95 174.12 1y8m n PRO 8 N 5.34 -2.93 -2.82 4.98 -0.02 -1.26 -5.02 135.00 133.27 1y8m n PRO 8 Ca -0.04 -0.61 -0.20 0.00 -2.02 0.00 0.00 63.50 60.63 1y8m n PRO 8 Cb 0.50 -0.83 0.04 0.00 -0.02 0.00 0.00 33.50 33.19 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 -1.45 2.63 0.05 3.45 -4.23 -1.26 -4.98 115.64 109.85 1y8m s THR 9 Ca 0.28 -0.82 0.23 0.00 -1.18 0.00 0.00 61.69 60.20 1y8m s THR 9 Cb -0.05 -2.81 0.22 0.00 1.34 0.00 0.00 72.50 71.20 1y8m s THR 9 CO 0.23 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.32 1y8m h LEU 10 N 0.20 0.00 -1.39 4.79 5.85 -1.95 -2.89 115.31 119.92 1y8m h LEU 10 Ca -0.39 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.27 1y8m h LEU 10 Cb 1.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1y8m h LEU 10 CO 0.46 0.24 -0.24 0.50 -0.34 0.00 0.00 178.44 179.07 1y8m h LYS 11 N 0.00 0.10 -0.35 1.25 3.64 -2.01 -2.00 116.57 117.20 1y8m h LYS 11 Ca -0.00 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1y8m h LYS 11 Cb 0.85 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1y8m h LYS 11 CO 0.03 0.34 0.34 -0.44 -2.27 0.00 0.00 179.45 177.45 1y8m h ASP 12 N 0.09 0.00 0.09 4.20 3.32 -1.90 0.23 116.42 122.44 1y8m h ASP 12 Ca 0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1y8m h ASP 12 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1y8m h ASP 12 CO 0.03 0.00 -0.11 0.00 -1.72 0.00 0.00 179.24 177.44 1y8m h ALA 13 N 1.64 1.72 0.00 3.45 0.00 -1.54 -1.43 119.26 123.10 1y8m h ALA 13 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1y8m h ALA 13 Cb 0.85 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1y8m h ALA 13 CO -0.00 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.12 1y8m n TYR 14 N -4.36 0.00 -3.76 0.00 4.02 0.79 -4.53 117.16 109.31 1y8m n TYR 14 Ca -0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.52 1y8m n TYR 14 Cb 0.21 -0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 39.35 1y8m n TYR 14 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1y8m s GLU 15 N -1.15 2.36 1.07 -0.72 2.56 -0.54 -5.09 118.70 117.18 1y8m s GLU 15 Ca 0.00 -2.39 -0.12 0.00 0.00 0.00 0.00 54.97 52.47 1y8m s GLU 15 Cb 0.00 -3.64 0.23 0.00 2.00 0.00 0.00 34.13 32.72 1y8m s GLU 15 CO 0.00 -1.14 1.07 -2.30 -0.56 0.00 0.00 175.26 172.33 1y8m n PRO 16 N 3.68 -1.66 -4.30 4.30 -0.02 -1.26 -4.94 135.00 130.80 1y8m n PRO 16 Ca 0.05 -0.44 -0.26 0.00 -2.02 0.00 0.00 63.50 60.84 1y8m n PRO 16 Cb 0.38 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.51 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 -7.02 3.01 0.52 2.45 1.43 -1.26 -5.10 118.68 112.71 1y8m s LEU 17 Ca 0.68 -0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 1y8m s LEU 17 Cb -0.25 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1y8m s LEU 17 CO 0.62 0.08 0.85 -0.31 0.23 0.00 0.00 176.35 177.82 1y8m s TYR 18 N -1.88 3.58 0.53 0.29 2.02 -1.26 -4.93 117.35 115.70 1y8m s TYR 18 Ca 0.27 0.94 0.20 0.00 -0.37 0.00 0.00 57.07 58.10 1y8m s TYR 18 Cb -0.08 -2.41 1.34 0.00 -0.40 0.00 0.00 41.96 40.41 1y8m s TYR 18 CO 0.16 -0.38 2.11 -1.00 -1.57 0.00 0.00 175.55 174.87 1y8m h PRO 19 N 0.11 0.00 -0.10 -1.71 0.13 -2.00 -2.10 132.00 126.33 1y8m h PRO 19 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1y8m h PRO 19 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1y8m h PRO 19 CO 0.62 0.00 -0.40 1.96 -0.23 0.00 0.00 178.00 179.94 1y8m h GLN 20 N 0.00 0.44 -0.77 0.86 1.08 -1.98 -1.49 115.11 113.26 1y8m h GLN 20 Ca 0.07 -0.35 0.04 0.00 -1.45 0.00 0.00 58.65 56.96 1y8m h GLN 20 Cb 0.30 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.75 1y8m h GLN 20 CO -0.00 0.98 0.48 1.96 -0.95 0.00 0.00 178.83 181.30 1y8m h GLN 21 N 0.01 0.90 -0.18 1.46 1.08 -1.77 0.33 115.11 116.94 1y8m h GLN 21 Ca -0.02 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 56.94 1y8m h GLN 21 Cb 1.04 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1y8m h GLN 21 CO 0.08 0.60 -0.62 1.25 -0.95 0.00 0.00 178.83 179.19 1y8m h LEU 22 N 0.93 0.71 -0.76 1.46 5.85 -1.48 -2.86 115.31 119.16 1y8m h LEU 22 Ca 0.31 -0.41 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 1y8m h LEU 22 Cb 0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1y8m h LEU 22 CO -0.12 1.15 -0.59 -0.08 -0.34 0.00 0.00 178.44 178.46 1y8m h GLU 23 N 0.46 0.00 0.10 1.25 4.81 -0.65 -2.98 114.58 117.57 1y8m h GLU 23 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1y8m h GLU 23 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1y8m h GLU 23 CO 0.12 0.59 -0.05 0.82 -0.73 0.00 0.00 179.01 179.76 1y8m h ILE 24 N 0.00 1.03 -0.64 2.32 2.04 -0.26 -1.73 117.51 120.27 1y8m h ILE 24 Ca -0.01 -0.47 0.13 0.00 1.00 0.00 0.00 64.86 65.51 1y8m h ILE 24 Cb 1.09 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1y8m h ILE 24 CO 0.08 0.12 0.43 -0.07 0.00 0.00 0.00 178.15 178.71 1y8m h LEU 25 N -0.34 0.28 -0.67 1.44 3.38 -1.47 0.76 115.31 118.69 1y8m h LEU 25 Ca -0.01 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1y8m h LEU 25 Cb 0.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1y8m h LEU 25 CO 0.02 0.16 -0.41 0.03 0.09 0.00 0.00 178.44 178.33 1y8m h ARG 26 N 0.30 0.56 -0.79 1.13 3.08 -1.27 -1.49 114.38 115.90 1y8m h ARG 26 Ca 0.30 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1y8m h ARG 26 Cb 0.78 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 1y8m h ARG 26 CO -0.07 0.87 0.48 1.96 -1.07 0.00 0.00 179.97 182.14 1y8m h GLN 27 N 0.46 1.07 -0.10 0.04 4.20 0.02 0.72 115.11 121.53 1y8m h GLN 27 Ca 0.04 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 1y8m h GLN 27 Cb 0.91 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1y8m h GLN 27 CO 0.08 0.76 -0.55 0.37 -0.67 0.00 0.00 178.83 178.82 1y8m h GLN 28 N 1.09 0.29 0.01 1.46 5.75 -1.23 0.21 115.11 122.69 1y8m h GLN 28 Ca 0.28 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1y8m h GLN 28 Cb -0.04 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1y8m h GLN 28 CO -0.05 0.76 -0.00 0.28 -2.65 0.00 0.00 178.83 177.17 1y8m h VAL 29 N 0.23 1.56 -0.49 2.39 2.07 -0.54 -3.17 116.25 118.30 1y8m h VAL 29 Ca 0.00 -1.96 -0.07 0.00 0.82 0.00 0.00 66.70 65.49 1y8m h VAL 29 Cb 1.03 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.64 1y8m h VAL 29 CO 0.09 0.49 0.05 0.58 0.02 0.00 0.00 177.57 178.80 1y8m h VAL 30 N -0.89 1.26 -0.54 2.57 2.07 0.38 0.14 116.25 121.24 1y8m h VAL 30 Ca -0.00 -0.99 0.14 0.00 0.82 0.00 0.00 66.70 66.67 1y8m h VAL 30 Cb 0.82 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1y8m h VAL 30 CO 0.00 0.35 0.38 -1.28 0.02 0.00 0.00 177.57 177.04 1y8m h SER 31 N 0.71 0.10 0.89 0.57 0.87 -0.70 0.53 113.55 116.51 1y8m h SER 31 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1y8m h SER 31 Cb 0.44 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1y8m h SER 31 CO 0.02 0.05 -0.11 -0.62 -0.53 0.00 0.00 176.83 175.64 1y8m n GLU 32 N -4.41 0.01 0.00 2.24 -0.58 -1.00 -4.85 120.64 112.04 1y8m n GLU 32 Ca 0.10 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1y8m n GLU 32 Cb 0.54 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 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 1.50 1.20 2.14 0.62 0.00 0.18 -4.45 105.19 106.39 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 1.17 0.36 -0.02 0.00 0.46 -4.27 105.19 102.89 1y8m n GLY 34 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.32 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 0.77 0.00 1.61 0.11 -1.94 0.13 132.00 132.68 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 0.51 0.00 0.25 -0.21 0.00 0.00 178.00 178.55 1y8m n THR 36 N -4.51 0.00 -1.64 -1.15 -2.24 -1.26 -4.81 114.28 98.67 1y8m n THR 36 Ca 0.14 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.60 1y8m n THR 36 Cb 0.30 -0.24 0.05 0.00 -2.10 0.00 0.00 70.33 68.35 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 2.50 1.11 6.98 0.00 0.47 -4.83 121.76 125.99 1y8m s ALA 37 Ca 0.04 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 1y8m s ALA 37 Cb 0.02 -3.26 0.21 0.00 0.00 0.00 0.00 23.12 20.09 1y8m s ALA 37 CO 0.03 -1.31 0.77 0.25 0.00 0.00 0.00 175.76 175.49 1y8m n THR 38 N -2.78 0.00 -0.08 0.00 -2.24 -1.26 -4.80 114.28 103.11 1y8m n THR 38 Ca 0.09 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 1y8m n THR 38 Cb 0.53 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.36 1.31 -0.36 2.28 2.04 -1.95 -2.77 117.51 115.69 1y8m h ILE 39 Ca -0.56 -1.31 0.11 0.00 1.00 0.00 0.00 64.86 64.09 1y8m h ILE 39 Cb 1.33 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1y8m h ILE 39 CO 0.44 0.41 0.30 1.56 0.00 0.00 0.00 178.15 180.86 1y8m h GLN 40 N 0.28 0.00 -0.07 2.37 4.20 -1.99 0.33 115.11 120.23 1y8m h GLN 40 Ca 0.05 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.61 1y8m h GLN 40 Cb 0.72 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.51 1y8m h GLN 40 CO 0.05 0.00 -0.52 0.77 -0.67 0.00 0.00 178.83 178.46 1y8m h SER 41 N 0.00 0.59 -0.17 1.46 0.02 -1.83 -3.03 113.55 110.58 1y8m h SER 41 Ca 0.17 -0.67 -0.21 0.00 -0.84 0.00 0.00 61.79 60.24 1y8m h SER 41 Cb 0.76 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.14 1y8m h SER 41 CO -0.00 1.17 -0.73 -0.09 -1.14 0.00 0.00 176.83 176.04 1y8m h ARG 42 N 0.05 0.80 -0.57 3.45 9.65 -1.04 -2.85 114.38 123.87 1y8m h ARG 42 Ca -0.04 -0.63 0.11 0.00 -1.10 0.00 0.00 59.98 58.32 1y8m h ARG 42 Cb 1.19 0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 29.80 1y8m h ARG 42 CO 0.11 1.24 0.06 0.35 2.80 0.00 0.00 179.97 184.53 1y8m h PHE 43 N 0.54 0.08 -0.30 2.20 3.57 -0.46 -0.25 116.94 122.32 1y8m h PHE 43 Ca -0.04 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1y8m h PHE 43 Cb 1.35 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1y8m h PHE 43 CO 0.09 -0.08 -0.29 -0.97 -2.23 0.00 0.00 178.31 174.82 1y8m h ASN 44 N 0.18 0.64 -0.73 0.41 -0.73 -1.54 -2.70 115.58 111.11 1y8m h ASN 44 Ca 0.29 -0.24 0.06 0.00 1.87 0.00 0.00 56.30 58.28 1y8m h ASN 44 Cb 0.45 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 1y8m h ASN 44 CO -0.43 0.90 0.48 0.22 -0.37 0.00 0.00 177.43 178.22 1y8m h TYR 45 N 0.53 0.77 0.00 0.67 3.20 -0.83 0.17 116.97 121.49 1y8m h TYR 45 Ca 0.07 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 1y8m h TYR 45 Cb 0.77 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1y8m h TYR 45 CO 0.03 0.41 -0.45 0.00 -1.64 0.00 0.00 178.16 176.51 1y8m h ALA 46 N 1.60 0.81 -0.11 1.82 0.00 -1.05 -3.06 119.26 119.28 1y8m h ALA 46 Ca 0.31 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1y8m h ALA 46 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1y8m h ALA 46 CO -0.10 0.57 -0.02 2.35 0.00 0.00 0.00 179.25 182.05 1y8m h TRP 47 N 0.00 0.23 -0.28 0.00 2.91 -0.67 -2.67 115.95 115.47 1y8m h TRP 47 Ca -0.00 -0.05 -0.08 0.00 1.13 0.00 0.00 58.89 59.89 1y8m h TRP 47 Cb 1.16 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 29.73 1y8m h TRP 47 CO 0.00 0.49 -0.16 0.78 -1.03 0.00 0.00 178.44 178.52 1y8m h GLY 48 N -0.10 0.52 2.00 2.65 0.00 -1.49 -2.15 103.07 104.49 1y8m h GLY 48 Ca 0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1y8m h GLY 48 CO 0.01 0.34 -0.18 1.41 0.00 0.00 0.00 176.54 178.12 1y8m h LEU 49 N 0.44 0.00 -0.08 3.11 3.38 -1.43 -2.27 115.31 118.47 1y8m h LEU 49 Ca 0.08 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 1y8m h LEU 49 Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1y8m h LEU 49 CO 0.03 0.18 -0.98 0.40 0.09 0.00 0.00 178.44 178.16 1y8m h ILE 50 N 0.00 1.66 0.00 1.22 2.04 -1.04 -3.12 117.51 118.27 1y8m h ILE 50 Ca -0.00 -3.24 0.00 0.00 1.00 0.00 0.00 64.86 62.62 1y8m h ILE 50 Cb 0.39 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 1y8m h ILE 50 CO 0.02 0.93 0.00 0.29 0.00 0.00 0.00 178.15 179.39 1y8m n LYS 51 N -3.42 0.23 -1.50 2.37 5.02 -0.87 -4.79 118.16 115.20 1y8m n LYS 51 Ca -0.01 0.36 -0.35 0.00 -2.02 0.00 0.00 58.31 56.29 1y8m n LYS 51 Cb 0.91 -1.87 0.09 0.00 -0.02 0.00 0.00 35.03 34.14 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 -4.41 4.21 0.17 4.39 0.15 -1.11 -4.50 113.70 112.60 1y8m s SER 52 Ca 0.06 2.50 0.13 0.00 0.70 0.00 0.00 55.95 59.35 1y8m s SER 52 Cb 0.10 -2.60 -0.07 0.00 -1.71 0.00 0.00 66.02 61.74 1y8m s SER 52 CO 0.47 -2.26 1.22 0.71 1.20 0.00 0.00 173.24 174.58 1y8m h THR 53 N -0.05 0.99 -4.06 6.45 1.35 -1.89 -3.46 112.91 112.25 1y8m h THR 53 Ca -0.49 -2.50 -0.46 0.00 -0.55 0.00 0.00 66.41 62.41 1y8m h THR 53 Cb 1.32 2.44 0.01 0.00 -1.73 0.00 0.00 68.15 70.19 1y8m h THR 53 CO 0.50 0.57 0.37 -1.81 -0.25 0.00 0.00 175.52 174.90 1y8m s ASP 54 N -6.35 6.56 0.29 5.36 1.01 -1.26 -4.94 116.67 117.34 1y8m s ASP 54 Ca 0.01 1.87 0.25 0.00 0.71 0.00 0.00 52.55 55.40 1y8m s ASP 54 Cb 0.08 -2.56 0.73 0.00 1.01 0.00 0.00 42.92 42.19 1y8m s ASP 54 CO 0.78 -0.63 1.74 1.62 0.21 0.00 0.00 175.17 178.90 1y8m h VAL 55 N 1.74 0.00 -0.78 -1.27 3.04 -1.97 -3.24 116.25 113.76 1y8m h VAL 55 Ca -0.49 -0.58 -0.05 0.00 -1.01 0.00 0.00 66.70 64.57 1y8m h VAL 55 Cb 1.21 1.56 -0.03 0.00 -2.01 0.00 0.00 31.29 32.01 1y8m h VAL 55 CO 0.60 0.00 0.30 -1.13 -1.01 0.00 0.00 177.57 176.33 1y8m h ASN 56 N 0.00 1.09 1.00 3.17 -0.73 -1.96 -2.24 115.58 115.92 1y8m h ASN 56 Ca 0.00 -0.18 -0.13 0.00 1.87 0.00 0.00 56.30 57.86 1y8m h ASN 56 Cb 0.76 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 1y8m h ASN 56 CO 0.00 0.98 -0.61 0.44 -0.37 0.00 0.00 177.43 177.87 1y8m h ASP 57 N 1.14 0.00 -0.26 1.15 5.19 -1.80 -2.99 116.42 118.85 1y8m h ASP 57 Ca 0.26 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.49 1y8m h ASP 57 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1y8m h ASP 57 CO -0.02 0.61 -0.52 -0.33 -3.12 0.00 0.00 179.24 175.86 1y8m h GLU 58 N 0.00 0.81 0.00 3.56 3.07 -1.51 -1.76 114.58 118.75 1y8m h GLU 58 Ca -0.01 -0.53 -0.06 0.00 -0.50 0.00 0.00 59.36 58.26 1y8m h GLU 58 Cb 1.28 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 1y8m h GLU 58 CO 0.08 1.16 -0.30 0.07 -1.40 0.00 0.00 179.01 178.62 1y8m h ARG 59 N 0.57 0.00 0.00 2.33 0.11 -1.45 -2.26 114.38 113.68 1y8m h ARG 59 Ca 0.01 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.96 1y8m h ARG 59 Cb 1.13 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.22 1y8m h ARG 59 CO 0.12 0.30 -0.50 1.25 0.10 0.00 0.00 179.97 181.23 1y8m h LEU 60 N 0.00 0.44 -0.72 0.08 5.85 -1.37 -3.08 115.31 116.51 1y8m h LEU 60 Ca -0.00 -0.77 -0.02 0.00 0.84 0.00 0.00 57.88 57.92 1y8m h LEU 60 Cb 0.76 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1y8m h LEU 60 CO 0.04 1.16 0.37 1.23 -0.34 0.00 0.00 178.44 180.90 1y8m h GLY 61 N -0.23 1.08 0.59 3.75 0.00 -1.21 -2.47 103.07 104.57 1y8m h GLY 61 Ca -0.06 -0.51 0.06 0.00 0.00 0.00 0.00 47.33 46.81 1y8m h GLY 61 CO 0.10 0.49 0.13 -2.08 0.00 0.00 0.00 176.54 175.18 1y8m h VAL 62 N 0.99 0.85 -0.91 4.60 2.07 -1.47 0.47 116.25 122.84 1y8m h VAL 62 Ca 0.25 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.69 1y8m h VAL 62 Cb 0.07 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1y8m h VAL 62 CO -0.04 0.05 0.60 0.50 0.02 0.00 0.00 177.57 178.71 1y8m h LYS 63 N 0.29 1.15 0.04 1.57 3.64 -1.38 -1.68 116.57 120.21 1y8m h LYS 63 Ca 0.20 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1y8m h LYS 63 Cb 0.20 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1y8m h LYS 63 CO -0.22 0.76 -0.02 0.82 -2.27 0.00 0.00 179.45 178.52 1y8m h ILE 64 N 1.18 1.24 -0.51 2.00 2.04 -0.82 -1.83 117.51 120.81 1y8m h ILE 64 Ca 0.35 -0.95 0.15 0.00 1.00 0.00 0.00 64.86 65.40 1y8m h ILE 64 Cb -0.06 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1y8m h ILE 64 CO -0.09 0.24 0.38 -0.07 0.00 0.00 0.00 178.15 178.61 1y8m h LEU 65 N -0.48 0.00 0.00 1.44 3.38 -0.65 0.13 115.31 119.13 1y8m h LEU 65 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1y8m h LEU 65 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1y8m h LEU 65 CO 0.01 0.00 -0.99 0.74 0.09 0.00 0.00 178.44 178.29 1y8m h THR 66 N 0.00 1.16 -0.06 0.22 2.02 -1.11 -2.49 112.91 112.65 1y8m h THR 66 Ca 0.24 -2.75 -0.06 0.00 0.77 0.00 0.00 66.41 64.61 1y8m h THR 66 Cb 1.00 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 1y8m h THR 66 CO -0.00 0.66 -0.20 0.44 0.37 0.00 0.00 175.52 176.79 1y8m h ASP 67 N 0.00 0.28 0.21 4.18 5.19 0.06 -1.84 116.42 124.50 1y8m h ASP 67 Ca -0.07 -0.61 -0.03 0.00 -0.62 0.00 0.00 57.03 55.70 1y8m h ASP 67 Cb 1.65 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 41.08 1y8m h ASP 67 CO 0.09 0.84 -0.13 0.40 -3.12 0.00 0.00 179.24 177.32 1y8m h ILE 68 N -0.27 0.87 -0.08 0.35 2.04 -1.21 -0.31 117.51 118.89 1y8m h ILE 68 Ca -0.01 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 65.25 1y8m h ILE 68 Cb 0.82 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1y8m h ILE 68 CO 0.04 0.13 -0.38 0.22 0.00 0.00 0.00 178.15 178.16 1y8m h TYR 69 N 0.00 0.55 0.00 1.37 5.03 -1.26 0.41 116.97 123.06 1y8m h TYR 69 Ca -0.00 -0.24 -0.09 0.00 2.58 0.00 0.00 58.73 60.98 1y8m h TYR 69 Cb 0.27 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 1y8m h TYR 69 CO 0.00 0.99 -0.41 0.87 -1.32 0.00 0.00 178.16 178.29 1y8m h LYS 70 N -0.05 0.00 0.00 1.82 1.57 -0.91 -3.33 116.57 115.67 1y8m h LYS 70 Ca -0.02 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.38 1y8m h LYS 70 Cb 1.03 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.27 1y8m h LYS 70 CO 0.08 0.41 -2.40 -1.91 -0.57 0.00 0.00 179.45 175.06 1y8m n GLU 71 N -3.45 0.71 -0.08 3.15 2.13 -0.16 -4.99 120.64 117.94 1y8m n GLU 71 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1y8m n GLU 71 Cb 0.56 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.76 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1y8m n ALA 72 N -2.92 0.00 -3.71 4.31 0.00 0.14 -5.06 120.51 113.28 1y8m n ALA 72 Ca -0.37 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.02 1y8m n ALA 72 Cb 1.09 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.52 1y8m n ALA 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y8m s GLU 73 N 0.54 1.21 0.00 0.00 2.12 -1.26 -4.86 118.70 116.44 1y8m s GLU 73 Ca 0.00 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.70 1y8m s GLU 73 Cb 0.00 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.83 1y8m s GLU 73 CO 0.00 -0.55 0.00 -1.13 -0.54 0.00 0.00 175.26 173.04 1y8m n SER 74 N -0.43 0.00 -0.79 -1.70 3.41 -1.26 -4.42 113.62 108.44 1y8m n SER 74 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1y8m n SER 74 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1y8m n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1y8m n ARG 75 N 0.00 0.72 -0.01 4.33 1.74 -1.26 -3.66 116.66 118.52 1y8m n ARG 75 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1y8m n ARG 75 Cb 0.00 -1.23 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 1y8m n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y8m h ARG 76 N 0.45 0.44 -0.08 5.56 3.08 -1.95 -2.42 114.38 119.45 1y8m h ARG 76 Ca 0.00 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.64 1y8m h ARG 76 Cb 0.56 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1y8m h ARG 76 CO 0.00 1.08 -0.04 0.00 -1.07 0.00 0.00 179.97 179.94 1y8m h ARG 77 N -0.05 -0.03 -0.68 0.04 -0.00 -1.97 0.52 114.38 112.22 1y8m h ARG 77 Ca -0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.41 1y8m h ARG 77 Cb 1.26 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 31.20 1y8m h ARG 77 CO 0.11 -0.02 0.40 0.93 0.00 0.00 0.00 179.97 181.40 1y8m h GLU 78 N -0.03 0.92 0.06 0.04 3.07 -1.83 -1.38 114.58 115.43 1y8m h GLU 78 Ca 0.05 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1y8m h GLU 78 Cb 0.10 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 1y8m h GLU 78 CO -0.10 0.65 -0.03 0.00 -1.40 0.00 0.00 179.01 178.12 1y8m h LEU 80 N -0.64 0.74 0.01 0.00 3.38 0.20 0.97 115.31 119.97 1y8m h LEU 80 Ca -0.01 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1y8m h LEU 80 Cb 0.55 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1y8m h LEU 80 CO 0.01 0.39 -0.00 0.22 0.09 0.00 0.00 178.44 179.15 1y8m h TYR 81 N 0.84 -0.01 -0.33 1.13 3.20 -1.24 -2.28 116.97 118.27 1y8m h TYR 81 Ca 0.45 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.27 1y8m h TYR 81 Cb 0.47 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1y8m h TYR 81 CO -0.04 0.47 0.02 1.88 -1.64 0.00 0.00 178.16 178.84 1y8m h TYR 82 N -0.50 0.52 -0.39 -3.82 -1.99 -0.24 -2.33 116.97 108.23 1y8m h TYR 82 Ca -0.00 -0.05 -0.12 0.00 2.00 0.00 0.00 58.73 60.56 1y8m h TYR 82 Cb 0.49 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 1y8m h TYR 82 CO 0.09 0.51 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.44 1y8m h LEU 83 N 0.49 0.81 -0.72 3.88 3.38 0.99 0.13 115.31 124.28 1y8m h LEU 83 Ca 0.11 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1y8m h LEU 83 Cb 0.30 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1y8m h LEU 83 CO 0.01 1.02 0.41 0.74 0.09 0.00 0.00 178.44 180.72 1y8m h THR 84 N 0.69 1.21 -0.02 0.22 2.02 -0.88 0.62 112.91 116.77 1y8m h THR 84 Ca 0.09 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1y8m h THR 84 Cb 0.77 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1y8m h THR 84 CO 0.06 0.23 -0.04 0.40 0.37 0.00 0.00 175.52 176.54 1y8m h ILE 85 N 0.98 1.44 -0.09 3.11 2.04 -1.16 0.51 117.51 124.34 1y8m h ILE 85 Ca 0.25 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 1y8m h ILE 85 Cb -0.00 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1y8m h ILE 85 CO -0.04 0.36 -0.13 1.23 0.00 0.00 0.00 178.15 179.57 1y8m h GLY 86 N -0.48 0.14 1.33 5.37 0.00 -0.58 -2.56 103.07 106.29 1y8m h GLY 86 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 47.33 46.97 1y8m h GLY 86 CO 0.01 0.07 -1.16 0.00 0.00 0.00 0.00 176.54 175.46 1y8m h TYR 88 N 0.27 0.71 0.00 0.00 3.20 -0.47 0.29 116.97 120.96 1y8m h TYR 88 Ca -0.16 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 1y8m h TYR 88 Cb 1.83 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.87 1y8m h TYR 88 CO 0.10 0.29 -0.11 0.87 -1.64 0.00 0.00 178.16 177.67 1y8m h LYS 89 N 0.63 0.00 -0.56 1.82 1.57 -1.56 -1.54 116.57 116.93 1y8m h LYS 89 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1y8m h LYS 89 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1y8m h LYS 89 CO -0.15 0.11 0.00 1.28 -0.57 0.00 0.00 179.45 180.12 1y8m n LEU 90 N -3.33 5.27 -1.77 2.94 4.77 0.95 -4.92 117.00 120.91 1y8m n LEU 90 Ca -0.00 -2.80 0.00 0.00 -0.03 0.00 0.00 56.01 53.18 1y8m n LEU 90 Cb 0.31 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1y8m n LEU 90 CO 0.29 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1y8m n GLY 91 N 0.64 -0.30 1.83 -0.72 0.00 -0.58 -4.65 105.19 101.40 1y8m n GLY 91 Ca 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.67 1.59 0.16 1.61 -0.58 -1.14 -4.62 120.64 115.99 1y8m n GLU 92 Ca 0.00 -0.82 0.03 0.00 -0.42 0.00 0.00 57.16 55.95 1y8m n GLU 92 Cb 0.30 -1.53 0.16 0.00 -0.57 0.00 0.00 31.44 29.80 1y8m n GLU 92 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1y8m n TYR 93 N 1.54 0.19 -0.10 -0.32 4.01 -1.26 -0.05 117.16 121.17 1y8m n TYR 93 Ca 0.23 0.10 -0.14 0.00 -0.16 0.00 0.00 57.90 57.94 1y8m n TYR 93 Cb 0.65 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 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 0.96 -0.00 7.72 4.64 -1.97 0.79 113.55 125.68 1y8m h SER 94 Ca 0.00 -0.49 -0.12 0.00 -0.47 0.00 0.00 61.79 60.71 1y8m h SER 94 Cb 1.10 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1y8m h SER 94 CO 0.00 1.25 -0.46 0.24 -0.87 0.00 0.00 176.83 176.99 1y8m h MET 95 N 0.68 0.32 -0.50 4.77 2.86 -0.86 -2.79 114.93 119.41 1y8m h MET 95 Ca 0.04 -0.34 0.03 0.00 -2.06 0.00 0.00 59.70 57.37 1y8m h MET 95 Cb 1.02 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1y8m h MET 95 CO 0.10 1.03 0.29 0.00 1.06 0.00 0.00 176.91 179.39 1y8m h ALA 96 N 0.30 0.64 -0.23 6.32 0.00 -1.52 -1.57 119.26 123.20 1y8m h ALA 96 Ca -0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1y8m h ALA 96 Cb 1.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1y8m h ALA 96 CO 0.09 -0.02 0.08 -0.22 0.00 0.00 0.00 179.25 179.19 1y8m h LYS 97 N 0.58 0.18 -0.72 0.00 3.64 -0.88 0.52 116.57 119.89 1y8m h LYS 97 Ca 0.20 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1y8m h LYS 97 Cb 0.04 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1y8m h LYS 97 CO -0.10 0.12 0.24 0.00 -2.27 0.00 0.00 179.45 177.44 1y8m h ARG 98 N 0.19 1.11 0.06 1.90 3.08 -1.18 0.89 114.38 120.43 1y8m h ARG 98 Ca 0.10 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1y8m h ARG 98 Cb 0.06 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1y8m h ARG 98 CO -0.10 0.95 -0.03 1.88 -1.07 0.00 0.00 179.97 181.60 1y8m h TYR 99 N 1.06 -0.08 -0.43 3.04 0.05 -1.00 -2.83 116.97 116.77 1y8m h TYR 99 Ca 0.23 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.99 1y8m h TYR 99 Cb 0.29 0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1y8m h TYR 99 CO 0.02 0.42 0.16 -0.24 -1.05 0.00 0.00 178.16 177.48 1y8m h VAL 100 N -0.64 1.17 -0.43 -2.88 3.04 -0.90 -2.22 116.25 113.39 1y8m h VAL 100 Ca -0.01 -0.55 0.04 0.00 -1.01 0.00 0.00 66.70 65.17 1y8m h VAL 100 Cb 0.54 0.67 -0.04 0.00 -2.01 0.00 0.00 31.29 30.45 1y8m h VAL 100 CO 0.01 0.21 0.19 -0.78 -1.01 0.00 0.00 177.57 176.20 1y8m h ASP 101 N 0.62 0.26 -0.63 3.17 3.58 -0.79 0.24 116.42 122.86 1y8m h ASP 101 Ca 0.15 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.57 1y8m h ASP 101 Cb 0.15 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 1y8m h ASP 101 CO -0.01 0.19 0.15 0.74 -2.88 0.00 0.00 179.24 177.42 1y8m h THR 102 N 0.39 1.25 -0.18 2.25 2.02 -1.17 -2.03 112.91 115.44 1y8m h THR 102 Ca 0.19 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 1y8m h THR 102 Cb 0.14 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1y8m h THR 102 CO -0.16 0.35 0.02 0.25 0.37 0.00 0.00 175.52 176.35 1y8m h LEU 103 N 0.93 0.31 -1.69 2.58 5.85 -0.80 -2.77 115.31 119.72 1y8m h LEU 103 Ca 0.20 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1y8m h LEU 103 Cb 0.36 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1y8m h LEU 103 CO 0.00 0.51 0.07 0.15 -0.34 0.00 0.00 178.44 178.83 1y8m h PHE 104 N 0.09 0.26 -0.86 1.25 3.57 -0.43 -1.74 116.94 119.08 1y8m h PHE 104 Ca 0.05 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1y8m h PHE 104 Cb 0.35 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1y8m h PHE 104 CO 0.03 0.22 0.57 1.49 -2.23 0.00 0.00 178.31 178.38 1y8m h GLU 105 N 0.27 1.10 -0.30 1.11 4.81 -1.08 -2.53 114.58 117.96 1y8m h GLU 105 Ca 0.07 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1y8m h GLU 105 Cb 0.08 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1y8m h GLU 105 CO -0.01 0.73 0.84 1.58 -0.73 0.00 0.00 179.01 181.42 1y8m n HIS 106 N -4.51 0.00 -2.24 0.92 -0.00 -0.65 -4.64 115.22 104.09 1y8m n HIS 106 Ca 0.10 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.23 1y8m n HIS 106 Cb 0.05 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.85 1y8m n HIS 106 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1y8m n GLU 107 N -2.33 -0.72 -3.62 1.57 4.07 -0.95 -5.03 120.64 113.63 1y8m n GLU 107 Ca 0.07 0.23 -0.35 0.00 -0.06 0.00 0.00 57.16 57.04 1y8m n GLU 107 Cb 0.93 -3.87 -0.06 0.00 -0.06 0.00 0.00 31.44 28.39 1y8m n GLU 107 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1y8m s ARG 108 N -4.48 3.73 0.00 5.31 6.06 -1.26 -5.08 118.95 123.23 1y8m s ARG 108 Ca 0.03 0.15 0.00 0.00 -2.50 0.00 0.00 55.73 53.41 1y8m s ARG 108 Cb -0.01 -3.07 0.00 0.00 0.06 0.00 0.00 34.95 31.92 1y8m s ARG 108 CO 0.04 0.62 0.00 0.09 -2.50 0.00 0.00 175.30 173.55 1y8m n ASN 109 N 1.21 0.00 -3.17 -2.12 4.13 -1.26 -4.90 115.26 109.16 1y8m n ASN 109 Ca -0.11 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.01 1y8m n ASN 109 Cb 0.53 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.78 1y8m n ASN 109 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1y8m n ASN 110 N 0.00 -7.02 0.03 6.41 4.05 -1.26 -4.67 115.26 112.80 1y8m n ASN 110 Ca 0.00 0.02 0.01 0.00 0.45 0.00 0.00 54.58 55.06 1y8m n ASN 110 Cb 0.00 -4.15 0.05 0.00 1.23 0.00 0.00 39.78 36.91 1y8m n ASN 110 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1y8m n LYS 111 N -1.03 0.01 0.18 1.20 5.02 -1.26 -0.57 118.16 121.72 1y8m n LYS 111 Ca -0.02 0.29 0.03 0.00 -2.02 0.00 0.00 58.31 56.60 1y8m n LYS 111 Cb 0.55 -1.82 0.35 0.00 -0.02 0.00 0.00 35.03 34.09 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 -0.02 1.97 7.50 -1.99 -1.16 115.11 121.41 1y8m h GLN 112 Ca 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 1y8m h GLN 112 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.09 1y8m h GLN 112 CO 0.00 0.40 -0.15 0.28 -1.50 0.00 0.00 178.83 177.86 1y8m h VAL 113 N 0.00 1.50 -0.71 -0.54 2.07 -1.10 0.24 116.25 117.70 1y8m h VAL 113 Ca -0.00 -1.69 0.05 0.00 0.82 0.00 0.00 66.70 65.88 1y8m h VAL 113 Cb 0.76 2.54 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 1y8m h VAL 113 CO 0.05 0.46 0.47 1.23 0.02 0.00 0.00 177.57 179.80 1y8m h GLY 114 N -0.47 0.95 0.42 2.17 0.00 -1.63 0.13 103.07 104.65 1y8m h GLY 114 Ca -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1y8m h GLY 114 CO 0.03 0.25 -0.29 0.00 0.00 0.00 0.00 176.54 176.53 1y8m h ALA 115 N 1.60 0.01 -0.37 3.60 0.00 -1.15 -2.66 119.26 120.31 1y8m h ALA 115 Ca 0.30 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1y8m h ALA 115 Cb 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1y8m h ALA 115 CO -0.09 0.11 0.16 1.25 0.00 0.00 0.00 179.25 180.68 1y8m h LEU 116 N -0.56 0.21 -2.08 0.00 5.85 -0.11 0.11 115.31 118.74 1y8m h LEU 116 Ca -0.04 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1y8m h LEU 116 Cb 1.09 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1y8m h LEU 116 CO 0.06 0.16 0.13 0.50 -0.34 0.00 0.00 178.44 178.95 1y8m h LYS 117 N 0.33 0.00 0.00 1.25 3.64 -0.82 -0.60 116.57 120.37 1y8m h LYS 117 Ca 0.16 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1y8m h LYS 117 Cb 0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1y8m h LYS 117 CO -0.13 0.00 -0.33 0.66 -2.27 0.00 0.00 179.45 177.38 1y8m h SER 118 N 0.00 0.00 -0.25 4.20 4.64 -0.41 0.36 113.55 122.08 1y8m h SER 118 Ca 0.08 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.21 1y8m h SER 118 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1y8m h SER 118 CO -0.00 0.33 -0.59 0.24 -0.87 0.00 0.00 176.83 175.94 1y8m h MET 119 N 0.00 0.86 -0.11 4.77 2.86 -0.88 0.22 114.93 122.65 1y8m h MET 119 Ca -0.00 -0.57 -0.08 0.00 -2.06 0.00 0.00 59.70 56.99 1y8m h MET 119 Cb 0.58 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1y8m h MET 119 CO 0.04 1.20 -0.25 0.28 1.06 0.00 0.00 176.91 179.24 1y8m h VAL 120 N 0.65 1.39 -0.07 -2.22 2.07 -1.40 -2.14 116.25 114.53 1y8m h VAL 120 Ca 0.00 -1.55 -0.24 0.00 0.82 0.00 0.00 66.70 65.74 1y8m h VAL 120 Cb 1.20 2.12 0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1y8m h VAL 120 CO 0.13 0.45 -0.89 -0.08 0.02 0.00 0.00 177.57 177.20 1y8m h GLU 121 N -0.07 0.68 -0.09 1.57 4.81 -0.31 -2.20 114.58 118.96 1y8m h GLU 121 Ca -0.00 -0.63 -0.09 0.00 -0.13 0.00 0.00 59.36 58.51 1y8m h GLU 121 Cb 0.85 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1y8m h GLU 121 CO 0.05 1.23 -0.34 -0.44 -0.73 0.00 0.00 179.01 178.79 1y8m h ASP 122 N 0.43 0.17 0.82 1.04 3.32 -0.63 -1.69 116.42 119.87 1y8m h ASP 122 Ca -0.08 -0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.71 1y8m h ASP 122 Cb 1.52 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 41.01 1y8m h ASP 122 CO 0.17 0.50 -0.93 0.11 -1.72 0.00 0.00 179.24 177.37 1y8m h LYS 123 N 0.15 0.06 0.00 3.56 1.79 -1.33 0.47 116.57 121.27 1y8m h LYS 123 Ca 0.02 -0.08 -0.12 0.00 -2.18 0.00 0.00 60.65 58.29 1y8m h LYS 123 Cb 0.67 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 1y8m h LYS 123 CO 0.05 0.95 -0.56 0.82 -1.08 0.00 0.00 179.45 179.63 1y8m h ILE 124 N 0.03 0.98 0.00 1.86 2.04 -1.16 -2.65 117.51 118.61 1y8m h ILE 124 Ca -0.03 -2.32 -0.19 0.00 1.00 0.00 0.00 64.86 63.32 1y8m h ILE 124 Cb 1.62 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 40.11 1y8m h ILE 124 CO 0.13 0.55 -1.08 1.56 0.00 0.00 0.00 178.15 179.30 1y8m h GLN 125 N 0.00 0.00 0.00 2.37 7.50 -1.29 -3.37 115.11 120.31 1y8m h GLN 125 Ca -0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1y8m h GLN 125 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.92 1y8m h GLN 125 CO 0.07 0.91 0.00 0.87 -1.50 0.00 0.00 178.83 179.18 1y8m h LYS 126 N -1.00 0.00 0.00 1.46 1.79 -0.17 -2.62 116.57 116.04 1y8m h LYS 126 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1y8m h LYS 126 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1y8m h LYS 126 CO -0.18 0.00 0.00 -0.85 -1.08 0.00 0.00 179.45 177.34 1y8m n GLU 127 N -2.47 0.01 0.00 3.15 -0.00 -1.00 -4.93 120.64 115.40 1y8m n GLU 127 Ca 0.01 0.34 0.00 0.00 -0.00 0.00 0.00 57.16 57.51 1y8m n GLU 127 Cb 0.21 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.15 1y8m n GLU 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1y8m n THR 128 N -1.48 0.00 0.00 3.84 -1.04 -0.99 -4.19 114.28 110.42 1y8m n THR 128 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1y8m n THR 128 Cb 0.09 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1y8m n THR 128 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1y8m n LEU 129 N 0.00 0.00 0.00 -4.42 7.94 -1.26 -4.84 117.00 114.42 1y8m n LEU 129 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 1y8m n LEU 129 Cb 0.00 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.19 1y8m n LEU 129 CO 0.00 -0.14 0.59 0.29 -1.11 0.00 0.00 177.39 177.01 1y8m n LYS 130 N -1.43 0.84 -2.47 1.96 5.02 -1.26 -4.93 118.16 115.88 1y8m n LYS 130 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1y8m n LYS 130 Cb 0.00 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.44 -4.79 3.76 0.72 0.00 -1.26 -4.94 105.19 99.11 1y8m n GLY 131 Ca 0.06 1.26 -0.40 0.00 0.00 0.00 0.00 46.02 46.94 1y8m n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y8m s VAL 132 N -0.79 4.65 -0.18 1.61 1.01 -1.26 -4.92 120.40 120.52 1y8m s VAL 132 Ca -0.19 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1y8m s VAL 132 Cb 0.01 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1y8m s VAL 132 CO 0.69 0.41 0.90 0.55 0.00 0.00 0.00 175.10 177.65 1y8m n VAL 133 N 2.46 0.81 -2.30 2.92 3.14 -1.26 -4.90 118.33 119.19 1y8m n VAL 133 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1y8m n VAL 133 Cb 0.50 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 1y8m n VAL 133 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1y8m n VAL 134 N 0.42-11.72 -1.58 1.55 0.31 -1.26 -4.64 118.33 101.40 1y8m n VAL 134 Ca 0.00 2.78 -0.42 0.00 -0.01 0.00 0.00 64.34 66.70 1y8m n VAL 134 Cb 0.45 -5.47 -0.03 0.00 -0.91 0.00 0.00 33.84 27.88 1y8m n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y8m n ALA 135 N 1.88 1.53 -3.37 3.52 0.00 -1.26 -4.89 120.51 117.92 1y8m n ALA 135 Ca 0.00 -0.41 -0.45 0.00 0.00 0.00 0.00 53.44 52.57 1y8m n ALA 135 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 19.45 16.45 1y8m n ALA 135 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1y8m s GLY 136 N 9.27 2.88 0.00 0.00 0.00 -1.26 -4.96 107.32 113.25 1y8m s GLY 136 Ca 1.01 -3.53 0.00 0.00 0.00 0.00 0.00 44.72 42.19 1y8m s GLY 136 CO 0.33 1.27 0.00 0.61 0.00 0.00 0.00 173.10 175.32 1y8m n GLY 137 N 3.42 1.07 3.10 0.20 0.00 -1.26 -5.18 105.19 106.54 1y8m n GLY 137 Ca 0.17 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1y8m n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y8m s VAL 138 N -2.24 0.44 -0.13 1.61 1.01 -1.26 -5.09 120.40 114.74 1y8m s VAL 138 Ca 0.00 -1.63 -0.29 0.00 0.00 0.00 0.00 61.98 60.06 1y8m s VAL 138 Cb 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 35.04 1y8m s VAL 138 CO 0.00 -0.79 1.97 -1.00 0.00 0.00 0.00 175.10 175.27 1y8m s HIS 139 N -3.10 1.46 -0.06 5.22 0.09 -1.26 -4.88 115.29 112.76 1y8m s HIS 139 Ca 0.03 0.20 -0.01 0.00 -0.00 0.00 0.00 55.06 55.28 1y8m s HIS 139 Cb 0.02 -4.05 -0.00 0.00 -0.00 0.00 0.00 32.58 28.54 1y8m s HIS 139 CO -0.05 -4.28 -0.03 1.25 -0.00 0.00 0.00 174.74 171.63 1y8m h HIS 140 N 12.35 0.00 -3.80 1.40 6.17 -2.07 -3.45 115.15 125.75 1y8m h HIS 140 Ca -0.42 0.00 -0.54 0.00 0.71 0.00 0.00 60.37 60.12 1y8m h HIS 140 Cb 1.21 0.00 0.11 0.00 2.52 0.00 0.00 27.41 31.25 1y8m h HIS 140 CO 0.94 0.00 0.80 -2.39 0.71 0.00 0.00 177.93 177.99 1y8m n HIS 141 N -3.54 2.99 -3.58 5.26 -0.00 -1.26 -4.99 115.22 110.10 1y8m n HIS 141 Ca -0.01 0.40 -0.02 0.00 -0.00 0.00 0.00 57.72 58.09 1y8m n HIS 141 Cb 0.04 -2.55 -0.05 0.00 -0.00 0.00 0.00 29.99 27.43 1y8m n HIS 141 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1y8m s HIS 142 N -0.89 -0.82 0.00 -1.40 2.46 -1.26 -5.02 115.29 108.36 1y8m s HIS 142 Ca 0.55 1.52 0.00 0.00 0.47 0.00 0.00 55.06 57.60 1y8m s HIS 142 Cb -0.48 0.49 0.00 0.00 -0.13 0.00 0.00 32.58 32.46 1y8m s HIS 142 CO 0.61 -0.40 0.00 1.58 -2.47 0.00 0.00 174.74 174.05 1y8m n HIS 143 N 4.45 0.00 1.27 3.88 -0.00 -1.26 -5.29 115.22 118.28 1y8m n HIS 143 Ca -0.15 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.67 1y8m n HIS 143 Cb 0.55 0.00 0.60 0.00 -0.00 0.00 0.00 29.99 31.14 1y8m n HIS 143 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92