#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8m h THR 2 N 0.00 0.84 -3.88 2.03 1.03 -2.10 -3.42 112.91 107.40 1y8m h THR 2 Ca 0.00 -0.09 -0.46 0.00 -0.01 0.00 0.00 66.41 65.85 1y8m h THR 2 Cb 0.00 1.05 0.11 0.00 -1.07 0.00 0.00 68.15 68.24 1y8m h THR 2 CO 0.00 0.02 0.32 -0.75 -0.01 0.00 0.00 175.52 175.11 1y8m s LYS 3 N -4.84 1.59 -0.14 0.00 2.47 -1.26 -4.74 119.74 112.82 1y8m s LYS 3 Ca -0.05 -0.31 -0.09 0.00 -1.56 0.00 0.00 55.97 53.97 1y8m s LYS 3 Cb 0.16 -2.03 0.03 0.00 -1.46 0.00 0.00 37.83 34.53 1y8m s LYS 3 CO 0.63 -1.72 0.17 0.28 0.16 0.00 0.00 175.35 174.87 1y8m n VAL 4 N -3.28 -9.48 0.00 4.02 0.31 -1.26 -5.01 118.33 103.63 1y8m n VAL 4 Ca 0.11 1.97 0.00 0.00 -0.01 0.00 0.00 64.34 66.41 1y8m n VAL 4 Cb 0.60 -5.40 0.00 0.00 -0.91 0.00 0.00 33.84 28.13 1y8m n VAL 4 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1y8m n ASP 5 N 1.92 0.00 -4.55 4.52 2.03 -1.26 -4.95 116.55 114.26 1y8m n ASP 5 Ca -0.29 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.65 1y8m n ASP 5 Cb 0.46 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 1y8m n ASP 5 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1y8m s PHE 6 N 1.11 1.57 0.61 -0.67 5.36 -1.26 -4.95 117.98 119.75 1y8m s PHE 6 Ca 0.00 0.92 -0.18 0.00 -0.96 0.00 0.00 56.93 56.71 1y8m s PHE 6 Cb 0.00 -3.99 -0.02 0.00 -0.34 0.00 0.00 43.02 38.66 1y8m s PHE 6 CO 0.00 -2.29 1.18 -1.58 -1.46 0.00 0.00 175.22 171.06 1y8m s TRP 7 N 9.75 2.44 1.01 10.12 0.51 -1.26 -4.97 118.94 136.54 1y8m s TRP 7 Ca 0.73 1.54 -0.13 0.00 -2.12 0.00 0.00 56.10 56.12 1y8m s TRP 7 Cb -0.13 -3.39 0.14 0.00 -0.81 0.00 0.00 33.47 29.28 1y8m s TRP 7 CO 0.20 -2.05 0.76 -0.35 -0.51 0.00 0.00 176.95 174.99 1y8m n PRO 8 N -1.82 -1.00 -3.48 4.98 -0.04 -1.26 -5.00 135.00 127.37 1y8m n PRO 8 Ca 0.13 -0.25 -0.24 0.00 -0.04 0.00 0.00 63.50 63.10 1y8m n PRO 8 Cb 0.50 -2.09 -0.01 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.47 5.13 0.28 0.52 -4.23 -1.26 -4.98 115.64 108.63 1y8m s THR 9 Ca 0.63 -0.52 0.17 0.00 -1.18 0.00 0.00 61.69 60.80 1y8m s THR 9 Cb -0.21 -3.85 0.13 0.00 1.34 0.00 0.00 72.50 69.90 1y8m s THR 9 CO 0.63 -0.50 1.80 0.25 -0.54 0.00 0.00 174.62 176.26 1y8m h LEU 10 N 0.90 0.00 -1.34 4.79 5.85 -1.95 -2.14 115.31 121.42 1y8m h LEU 10 Ca -0.50 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 1y8m h LEU 10 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1y8m h LEU 10 CO 0.62 0.36 -0.21 0.07 -0.34 0.00 0.00 178.44 178.94 1y8m h LYS 11 N 0.00 0.18 -0.13 1.25 2.10 -2.03 -1.54 116.57 116.40 1y8m h LYS 11 Ca -0.00 -0.05 0.04 0.00 -2.00 0.00 0.00 60.65 58.63 1y8m h LYS 11 Cb 0.76 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.06 1y8m h LYS 11 CO 0.05 0.39 0.10 0.22 -2.00 0.00 0.00 179.45 178.20 1y8m h ASP 12 N 0.17 0.00 -0.38 7.07 3.58 -1.77 -0.55 116.42 124.54 1y8m h ASP 12 Ca 0.03 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.59 1y8m h ASP 12 Cb 0.47 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1y8m h ASP 12 CO 0.03 0.00 0.35 0.00 -2.88 0.00 0.00 179.24 176.75 1y8m h ALA 13 N 1.92 2.14 0.00 -0.78 0.00 -1.36 -1.49 119.26 119.69 1y8m h ALA 13 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y8m h ALA 13 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1y8m h ALA 13 CO -0.00 -0.55 -0.00 1.88 0.00 0.00 0.00 179.25 180.58 1y8m h TYR 14 N 0.00 -0.01 -0.48 0.00 -1.99 -1.25 -3.41 116.97 109.83 1y8m h TYR 14 Ca 0.18 -0.00 -0.68 0.00 2.00 0.00 0.00 58.73 60.23 1y8m h TYR 14 Cb 0.89 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.58 1y8m h TYR 14 CO 0.00 0.84 1.43 -1.91 -0.00 0.00 0.00 178.16 178.52 1y8m n GLU 15 N -4.68 0.45 0.00 4.88 0.00 -0.56 -4.90 120.64 115.83 1y8m n GLU 15 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1y8m n GLU 15 Cb 0.41 -1.95 0.00 0.00 0.00 0.00 0.00 31.44 29.90 1y8m n GLU 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1y8m n PRO 16 N 7.98 0.11 -4.09 5.31 -0.05 -1.26 -4.93 135.00 138.06 1y8m n PRO 16 Ca 0.51 0.00 -0.10 0.00 -0.05 0.00 0.00 63.50 63.86 1y8m n PRO 16 Cb 0.10 0.00 -0.09 0.00 -0.05 0.00 0.00 33.50 33.46 1y8m n PRO 16 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1y8m s LEU 17 N 0.00 1.42 0.31 1.53 1.43 -1.26 -5.04 118.68 117.07 1y8m s LEU 17 Ca 0.00 -1.12 0.02 0.00 -1.03 0.00 0.00 54.13 52.00 1y8m s LEU 17 Cb 0.00 0.62 -0.03 0.00 0.03 0.00 0.00 46.19 46.81 1y8m s LEU 17 CO 0.00 -0.80 0.48 -0.31 0.23 0.00 0.00 176.35 175.95 1y8m s TYR 18 N -4.04 3.47 0.61 0.29 2.02 -1.26 -4.97 117.35 113.49 1y8m s TYR 18 Ca 0.24 0.21 0.37 0.00 -0.37 0.00 0.00 57.07 57.51 1y8m s TYR 18 Cb 0.06 -1.78 2.09 0.00 -0.40 0.00 0.00 41.96 41.93 1y8m s TYR 18 CO 0.03 0.23 2.30 -1.00 -1.57 0.00 0.00 175.55 175.54 1y8m h PRO 19 N 0.90 0.00 0.13 -1.71 0.13 -2.02 -2.03 132.00 127.40 1y8m h PRO 19 Ca -0.50 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.29 1y8m h PRO 19 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1y8m h PRO 19 CO 0.61 0.00 -1.79 1.96 -0.23 0.00 0.00 178.00 178.56 1y8m h GLN 20 N 0.00 0.27 0.28 0.86 4.20 -1.97 -2.73 115.11 116.02 1y8m h GLN 20 Ca -0.00 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 1y8m h GLN 20 Cb 0.02 0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1y8m h GLN 20 CO 0.00 1.15 -0.13 1.96 -0.67 0.00 0.00 178.83 181.14 1y8m h GLN 21 N 0.07 -0.36 -0.19 1.46 1.08 -1.77 0.30 115.11 115.70 1y8m h GLN 21 Ca -0.34 0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 56.77 1y8m h GLN 21 Cb 2.05 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 29.55 1y8m h GLN 21 CO 0.13 -0.20 -0.35 1.25 -0.95 0.00 0.00 178.83 178.71 1y8m h LEU 22 N -0.42 0.41 -0.59 1.46 5.85 -1.59 -2.83 115.31 117.59 1y8m h LEU 22 Ca -0.04 -0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.38 1y8m h LEU 22 Cb 0.32 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1y8m h LEU 22 CO 0.06 0.73 -0.67 -0.08 -0.34 0.00 0.00 178.44 178.15 1y8m h GLU 23 N 0.34 0.00 -0.02 1.25 4.81 -1.23 -2.94 114.58 116.80 1y8m h GLU 23 Ca 0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1y8m h GLU 23 Cb 0.78 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1y8m h GLU 23 CO 0.06 0.67 0.01 0.82 -0.73 0.00 0.00 179.01 179.84 1y8m h ILE 24 N 0.00 1.15 0.00 2.32 2.04 -0.18 0.18 117.51 123.02 1y8m h ILE 24 Ca -0.01 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1y8m h ILE 24 Cb 1.23 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1y8m h ILE 24 CO 0.09 0.12 -0.04 -0.07 0.00 0.00 0.00 178.15 178.24 1y8m h LEU 25 N -0.15 0.00 0.10 1.44 3.38 -1.51 -1.68 115.31 116.88 1y8m h LEU 25 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 1y8m h LEU 25 Cb 0.18 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.96 1y8m h LEU 25 CO -0.00 0.04 -1.24 -0.09 0.09 0.00 0.00 178.44 177.24 1y8m h ARG 26 N 0.00 0.58 -0.71 1.13 2.43 -1.20 -2.42 114.38 114.19 1y8m h ARG 26 Ca -0.00 -0.79 0.05 0.00 -0.81 0.00 0.00 59.98 58.43 1y8m h ARG 26 Cb 0.08 0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1y8m h ARG 26 CO 0.01 1.35 0.43 0.37 -1.51 0.00 0.00 179.97 180.62 1y8m h GLN 27 N 0.25 0.79 -0.40 0.20 5.75 0.23 0.32 115.11 122.25 1y8m h GLN 27 Ca -0.18 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.14 1y8m h GLN 27 Cb 1.91 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 30.27 1y8m h GLN 27 CO 0.23 0.52 -0.26 0.37 -2.65 0.00 0.00 178.83 177.04 1y8m h GLN 28 N 0.81 0.83 0.05 1.69 4.15 -1.43 0.21 115.11 121.42 1y8m h GLN 28 Ca 0.30 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1y8m h GLN 28 Cb 0.10 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1y8m h GLN 28 CO -0.15 0.99 -0.02 0.28 -1.93 0.00 0.00 178.83 178.00 1y8m h VAL 29 N 0.71 1.22 -0.66 2.39 2.07 -0.78 -2.38 116.25 118.82 1y8m h VAL 29 Ca 0.09 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 1y8m h VAL 29 Cb 0.80 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1y8m h VAL 29 CO 0.07 0.23 0.12 0.58 0.02 0.00 0.00 177.57 178.59 1y8m h VAL 30 N -0.49 1.26 0.00 2.57 2.07 -0.39 0.89 116.25 122.16 1y8m h VAL 30 Ca -0.01 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1y8m h VAL 30 Cb 0.44 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1y8m h VAL 30 CO 0.01 0.38 -0.06 0.28 0.02 0.00 0.00 177.57 178.21 1y8m h SER 31 N 1.01 0.00 0.41 0.57 0.02 -0.58 -1.10 113.55 113.88 1y8m h SER 31 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1y8m h SER 31 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1y8m h SER 31 CO 0.01 0.06 -0.28 1.21 -1.14 0.00 0.00 176.83 176.69 1y8m n GLU 32 N -3.92 0.46 0.00 3.45 0.00 -0.80 -4.88 120.64 114.96 1y8m n GLU 32 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 57.16 56.90 1y8m n GLU 32 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.09 1y8m n GLU 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1y8m n GLY 33 N 1.39 1.21 7.00 8.31 0.00 -0.42 -4.25 105.19 118.43 1y8m n GLY 33 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 2.84 0.26 -0.02 0.00 0.24 -3.01 105.19 105.50 1y8m n GLY 34 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 0.66 0.00 1.61 0.11 -1.95 0.26 132.00 132.69 1y8m h PRO 35 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1y8m h PRO 35 Cb 0.00 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.96 1y8m h PRO 35 CO 0.00 0.44 0.00 0.25 -0.21 0.00 0.00 178.00 178.48 1y8m n THR 36 N -4.79 0.00 -1.14 -1.15 -2.24 -1.16 -4.80 114.28 99.00 1y8m n THR 36 Ca 0.09 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.56 1y8m n THR 36 Cb 0.18 -0.39 0.11 0.00 -2.10 0.00 0.00 70.33 68.13 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 2.04 1.04 6.98 0.00 0.08 -4.79 121.76 125.12 1y8m s ALA 37 Ca 0.04 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 1y8m s ALA 37 Cb 0.02 -3.30 0.21 0.00 0.00 0.00 0.00 23.12 20.04 1y8m s ALA 37 CO 0.03 -2.01 1.03 0.25 0.00 0.00 0.00 175.76 175.06 1y8m n THR 38 N -3.69 0.00 -0.12 0.00 -2.24 -1.26 -4.82 114.28 102.15 1y8m n THR 38 Ca 0.09 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1y8m n THR 38 Cb 0.53 -0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.26 1.28 -0.26 2.28 2.04 -1.96 -2.62 117.51 116.02 1y8m h ILE 39 Ca -0.52 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 64.19 1y8m h ILE 39 Cb 1.30 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1y8m h ILE 39 CO 0.44 0.40 0.22 1.56 0.00 0.00 0.00 178.15 180.78 1y8m h GLN 40 N 0.52 0.00 -0.02 2.37 7.50 -1.99 0.29 115.11 123.78 1y8m h GLN 40 Ca 0.09 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.18 1y8m h GLN 40 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.19 1y8m h GLN 40 CO 0.04 0.00 -0.21 0.66 -1.50 0.00 0.00 178.83 177.83 1y8m h SER 41 N 0.00 0.21 -0.43 1.46 4.64 -1.82 -2.88 113.55 114.74 1y8m h SER 41 Ca 0.12 -0.72 -0.12 0.00 -0.47 0.00 0.00 61.79 60.60 1y8m h SER 41 Cb 0.56 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1y8m h SER 41 CO -0.00 0.90 -0.20 0.03 -0.87 0.00 0.00 176.83 176.69 1y8m h ARG 42 N -0.46 0.93 0.01 4.77 3.08 -1.11 -2.01 114.38 119.59 1y8m h ARG 42 Ca -0.02 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 59.67 1y8m h ARG 42 Cb 0.92 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1y8m h ARG 42 CO 0.04 1.04 -0.17 0.35 -1.07 0.00 0.00 179.97 180.16 1y8m h PHE 43 N 0.81 -0.45 -0.39 3.04 3.57 -0.51 0.54 116.94 123.55 1y8m h PHE 43 Ca 0.11 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1y8m h PHE 43 Cb 0.75 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1y8m h PHE 43 CO 0.05 -0.25 -0.21 -0.91 -2.23 0.00 0.00 178.31 174.76 1y8m h ASN 44 N -0.29 0.76 0.03 0.41 4.21 -1.49 -2.49 115.58 116.73 1y8m h ASN 44 Ca 0.05 -0.27 -0.03 0.00 1.21 0.00 0.00 56.30 57.27 1y8m h ASN 44 Cb 0.35 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 1y8m h ASN 44 CO -0.16 0.96 -0.07 0.22 -1.29 0.00 0.00 177.43 177.09 1y8m h TYR 45 N 0.66 0.11 0.00 1.19 3.20 -0.87 -0.85 116.97 120.41 1y8m h TYR 45 Ca 0.09 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 1y8m h TYR 45 Cb 0.71 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1y8m h TYR 45 CO 0.04 0.19 -0.58 0.00 -1.64 0.00 0.00 178.16 176.17 1y8m h ALA 46 N 1.82 1.03 -0.18 1.82 0.00 -0.45 -2.99 119.26 120.31 1y8m h ALA 46 Ca 0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1y8m h ALA 46 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1y8m h ALA 46 CO 0.01 0.72 -0.02 2.35 0.00 0.00 0.00 179.25 182.31 1y8m h TRP 47 N 0.00 0.37 -0.85 0.00 2.91 -0.95 -2.63 115.95 114.79 1y8m h TRP 47 Ca -0.01 -0.07 0.02 0.00 1.13 0.00 0.00 58.89 59.96 1y8m h TRP 47 Cb 1.03 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.54 1y8m h TRP 47 CO 0.00 0.57 0.56 0.78 -1.03 0.00 0.00 178.44 179.31 1y8m h GLY 48 N 0.07 1.22 2.00 2.65 0.00 -1.43 -0.99 103.07 106.58 1y8m h GLY 48 Ca 0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1y8m h GLY 48 CO 0.01 0.40 -0.14 1.41 0.00 0.00 0.00 176.54 178.23 1y8m h LEU 49 N 1.12 0.00 -0.32 3.11 3.38 -1.42 -1.89 115.31 119.28 1y8m h LEU 49 Ca 0.32 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.16 1y8m h LEU 49 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1y8m h LEU 49 CO -0.09 0.14 -0.66 0.40 0.09 0.00 0.00 178.44 178.32 1y8m h ILE 50 N 0.00 1.24 0.00 1.22 2.04 -0.82 -2.79 117.51 118.41 1y8m h ILE 50 Ca -0.00 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1y8m h ILE 50 Cb 0.28 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1y8m h ILE 50 CO 0.02 0.64 0.00 0.29 0.00 0.00 0.00 178.15 179.10 1y8m n LYS 51 N -3.42 0.09 -0.76 2.37 5.02 -0.73 -4.82 118.16 115.90 1y8m n LYS 51 Ca 0.00 0.17 -0.30 0.00 -2.02 0.00 0.00 58.31 56.16 1y8m n LYS 51 Cb 0.73 -1.62 0.18 0.00 -0.02 0.00 0.00 35.03 34.30 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 -3.53 2.59 -0.05 4.39 0.15 -1.11 -4.49 113.70 111.66 1y8m s SER 52 Ca 0.10 1.90 0.12 0.00 0.70 0.00 0.00 55.95 58.77 1y8m s SER 52 Cb 0.14 -2.45 -0.23 0.00 -1.71 0.00 0.00 66.02 61.77 1y8m s SER 52 CO 0.46 -3.26 0.65 0.35 1.20 0.00 0.00 173.24 172.65 1y8m n THR 53 N -4.32 1.62 -2.78 6.45 -2.24 -1.26 -4.89 114.28 106.86 1y8m n THR 53 Ca 0.09 -0.79 -0.33 0.00 -2.27 0.00 0.00 64.05 60.75 1y8m n THR 53 Cb 0.53 -1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 67.62 1y8m n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1y8m s ASP 54 N -6.14 6.87 0.13 3.42 1.01 -1.26 -4.94 116.67 115.76 1y8m s ASP 54 Ca -0.05 1.71 0.27 0.00 0.71 0.00 0.00 52.55 55.18 1y8m s ASP 54 Cb 0.08 -2.54 0.90 0.00 1.01 0.00 0.00 42.92 42.37 1y8m s ASP 54 CO 0.82 -0.41 1.78 0.55 0.21 0.00 0.00 175.17 178.12 1y8m n VAL 55 N -0.70 0.36 -0.08 -1.27 3.14 -1.26 -3.32 118.33 115.20 1y8m n VAL 55 Ca 0.07 -0.18 -0.11 0.00 -2.96 0.00 0.00 64.34 61.16 1y8m n VAL 55 Cb 0.54 -0.49 -0.04 0.00 -1.06 0.00 0.00 33.84 32.79 1y8m n VAL 55 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1y8m h ASN 56 N 0.00 0.41 -0.10 6.55 -0.73 -1.96 -0.29 115.58 119.46 1y8m h ASN 56 Ca 0.00 -0.28 -0.08 0.00 1.87 0.00 0.00 56.30 57.82 1y8m h ASN 56 Cb 0.65 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.13 1y8m h ASN 56 CO 0.00 0.58 -0.23 0.44 -0.37 0.00 0.00 177.43 177.85 1y8m h ASP 57 N 0.22 0.38 -0.93 1.15 5.19 -1.84 -2.80 116.42 117.79 1y8m h ASP 57 Ca 0.07 -0.57 0.08 0.00 -0.62 0.00 0.00 57.03 55.99 1y8m h ASP 57 Cb 0.36 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 39.69 1y8m h ASP 57 CO 0.01 0.88 0.60 -0.08 -3.12 0.00 0.00 179.24 177.53 1y8m h GLU 58 N -0.11 0.99 0.00 3.56 4.81 -1.46 0.54 114.58 122.91 1y8m h GLU 58 Ca -0.00 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1y8m h GLU 58 Cb 0.83 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1y8m h GLU 58 CO 0.05 0.66 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.65 1y8m h ARG 59 N 1.02 0.00 -0.03 1.92 2.43 -1.01 -2.65 114.38 116.05 1y8m h ARG 59 Ca 0.41 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.34 1y8m h ARG 59 Cb 0.26 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1y8m h ARG 59 CO -0.17 0.25 -0.94 1.25 -1.51 0.00 0.00 179.97 178.84 1y8m h LEU 60 N 0.00 0.77 -0.80 3.80 5.85 -0.65 -3.04 115.31 121.25 1y8m h LEU 60 Ca -0.00 -0.59 0.01 0.00 0.84 0.00 0.00 57.88 58.14 1y8m h LEU 60 Cb 0.70 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1y8m h LEU 60 CO 0.03 1.38 0.53 1.23 -0.34 0.00 0.00 178.44 181.27 1y8m h GLY 61 N 0.75 1.12 0.92 3.75 0.00 -0.97 -2.24 103.07 106.40 1y8m h GLY 61 Ca -0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1y8m h GLY 61 CO 0.18 0.40 0.10 -2.08 0.00 0.00 0.00 176.54 175.14 1y8m h VAL 62 N 1.07 1.14 -0.78 4.60 2.07 -1.51 0.12 116.25 122.97 1y8m h VAL 62 Ca 0.29 -0.41 0.16 0.00 0.82 0.00 0.00 66.70 67.57 1y8m h VAL 62 Cb -0.11 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1y8m h VAL 62 CO -0.07 0.14 0.52 0.50 0.02 0.00 0.00 177.57 178.68 1y8m h LYS 63 N 0.21 0.40 0.02 1.57 3.64 -1.34 0.40 116.57 121.47 1y8m h LYS 63 Ca 0.07 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1y8m h LYS 63 Cb 0.13 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1y8m h LYS 63 CO -0.01 0.26 -0.36 0.82 -2.27 0.00 0.00 179.45 177.90 1y8m h ILE 64 N 0.41 1.56 0.00 2.00 2.04 -0.78 -2.44 117.51 120.30 1y8m h ILE 64 Ca 0.39 -2.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.10 1y8m h ILE 64 Cb 0.91 2.90 -0.00 0.00 -0.74 0.00 0.00 36.82 39.89 1y8m h ILE 64 CO -0.13 0.58 -0.12 -0.07 0.00 0.00 0.00 178.15 178.42 1y8m h LEU 65 N -0.49 0.00 0.00 1.44 3.38 0.37 -0.33 115.31 119.67 1y8m h LEU 65 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1y8m h LEU 65 Cb 1.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1y8m h LEU 65 CO 0.07 0.12 -0.80 0.74 0.09 0.00 0.00 178.44 178.66 1y8m h THR 66 N 0.00 0.73 0.11 0.22 2.02 -0.28 -2.10 112.91 113.62 1y8m h THR 66 Ca -0.00 -2.12 -0.24 0.00 0.77 0.00 0.00 66.41 64.82 1y8m h THR 66 Cb 0.26 2.28 0.02 0.00 -1.74 0.00 0.00 68.15 68.97 1y8m h THR 66 CO 0.02 0.41 -1.00 -0.78 0.37 0.00 0.00 175.52 174.54 1y8m h ASP 67 N 0.00 0.69 0.47 4.18 1.82 -0.82 -2.93 116.42 119.83 1y8m h ASP 67 Ca -0.05 -0.85 -0.07 0.00 -0.39 0.00 0.00 57.03 55.66 1y8m h ASP 67 Cb 1.44 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 1y8m h ASP 67 CO 0.06 1.47 -0.35 0.40 -1.61 0.00 0.00 179.24 179.21 1y8m h ILE 68 N 0.00 1.11 -0.00 2.25 2.04 -1.16 -1.24 117.51 120.51 1y8m h ILE 68 Ca -0.16 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.43 1y8m h ILE 68 Cb 1.73 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.52 1y8m h ILE 68 CO 0.19 0.35 0.00 0.22 0.00 0.00 0.00 178.15 178.91 1y8m h TYR 69 N 0.00 0.00 0.00 1.37 3.20 -1.34 1.26 116.97 121.46 1y8m h TYR 69 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1y8m h TYR 69 Cb 0.69 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1y8m h TYR 69 CO 0.00 0.29 -0.22 0.87 -1.64 0.00 0.00 178.16 177.46 1y8m h LYS 70 N -0.28 0.00 0.00 1.82 1.57 -1.38 -3.28 116.57 115.01 1y8m h LYS 70 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1y8m h LYS 70 Cb 0.29 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 1y8m h LYS 70 CO 0.00 0.22 -2.23 -1.91 -0.57 0.00 0.00 179.45 174.96 1y8m n GLU 71 N -3.26 0.68 -0.57 3.15 0.00 -0.48 -4.97 120.64 115.18 1y8m n GLU 71 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 57.16 57.24 1y8m n GLU 71 Cb 0.50 -1.59 0.01 0.00 0.00 0.00 0.00 31.44 30.36 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1y8m n ALA 72 N -2.76 -0.02 -2.00 4.31 0.00 0.43 -5.05 120.51 115.43 1y8m n ALA 72 Ca -0.30 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1y8m n ALA 72 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.58 1y8m n ALA 72 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1y8m n GLU 73 N -1.13 0.00 -0.47 0.00 0.00 -1.26 -4.86 120.64 112.92 1y8m n GLU 73 Ca 0.01 0.00 0.39 0.00 0.00 0.00 0.00 57.16 57.56 1y8m n GLU 73 Cb 0.04 0.00 0.60 0.00 0.00 0.00 0.00 31.44 32.08 1y8m n GLU 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1y8m n SER 74 N 0.00 0.00 0.00 -1.84 2.88 -1.26 0.30 113.62 113.71 1y8m n SER 74 Ca 0.00 0.80 0.08 0.00 -1.33 0.00 0.00 58.87 58.42 1y8m n SER 74 Cb 0.00 -0.36 0.46 0.00 -0.75 0.00 0.00 64.21 63.56 1y8m n SER 74 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1y8m n ARG 75 N -3.44 0.54 -0.01 -1.46 1.74 -1.26 -2.76 116.66 110.00 1y8m n ARG 75 Ca 0.33 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.36 1y8m n ARG 75 Cb 1.63 -1.45 0.16 0.00 -1.02 0.00 0.00 32.46 31.78 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 0.00 0.55 -0.39 5.56 3.08 0.44 -2.59 114.38 121.02 1y8m h ARG 76 Ca 0.00 -0.22 0.08 0.00 0.07 0.00 0.00 59.98 59.90 1y8m h ARG 76 Cb 0.00 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1y8m h ARG 76 CO 0.00 0.78 -0.07 0.00 -1.07 0.00 0.00 179.97 179.61 1y8m h ARG 77 N 0.48 0.03 -0.10 0.04 3.08 -1.73 0.84 114.38 117.01 1y8m h ARG 77 Ca 0.06 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1y8m h ARG 77 Cb 0.73 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1y8m h ARG 77 CO 0.06 0.02 -0.41 0.93 -1.07 0.00 0.00 179.97 179.50 1y8m h GLU 78 N 0.03 0.22 -0.18 0.04 5.08 -1.77 -3.01 114.58 115.00 1y8m h GLU 78 Ca 0.19 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1y8m h GLU 78 Cb 0.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1y8m h GLU 78 CO -0.37 0.60 -0.41 0.00 -1.00 0.00 0.00 179.01 177.83 1y8m h LEU 80 N 0.25 0.80 -0.12 0.00 3.38 0.69 0.46 115.31 120.76 1y8m h LEU 80 Ca -0.00 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1y8m h LEU 80 Cb 1.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1y8m h LEU 80 CO 0.09 0.49 -0.15 0.22 0.09 0.00 0.00 178.44 179.18 1y8m h TYR 81 N 0.92 0.39 -0.09 1.13 3.20 -1.50 -2.76 116.97 118.26 1y8m h TYR 81 Ca 0.40 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 1y8m h TYR 81 Cb 0.27 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1y8m h TYR 81 CO -0.04 0.74 -0.27 1.88 -1.64 0.00 0.00 178.16 178.84 1y8m h TYR 82 N -0.08 0.17 -0.48 -3.82 -1.99 -0.79 -2.67 116.97 107.32 1y8m h TYR 82 Ca 0.02 -0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.59 1y8m h TYR 82 Cb 0.69 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.36 1y8m h TYR 82 CO 0.09 0.42 -0.21 -0.07 -0.00 0.00 0.00 178.16 178.38 1y8m h LEU 83 N 0.14 1.00 -0.80 3.88 3.38 -0.06 -0.82 115.31 122.04 1y8m h LEU 83 Ca 0.02 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.68 1y8m h LEU 83 Cb 0.55 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1y8m h LEU 83 CO 0.04 1.17 0.48 0.74 0.09 0.00 0.00 178.44 180.96 1y8m h THR 84 N 0.84 1.02 -0.01 0.22 2.02 -1.18 1.69 112.91 117.51 1y8m h THR 84 Ca 0.11 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1y8m h THR 84 Cb 0.79 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1y8m h THR 84 CO 0.07 0.16 -0.01 0.40 0.37 0.00 0.00 175.52 176.51 1y8m h ILE 85 N 0.88 1.38 -0.53 3.11 2.04 -1.33 0.44 117.51 123.50 1y8m h ILE 85 Ca 0.35 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 64.98 1y8m h ILE 85 Cb 0.17 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1y8m h ILE 85 CO -0.17 0.30 -0.01 1.23 0.00 0.00 0.00 178.15 179.49 1y8m h GLY 86 N -0.44 1.02 1.68 5.37 0.00 -0.80 -2.67 103.07 107.24 1y8m h GLY 86 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 47.33 46.46 1y8m h GLY 86 CO 0.00 0.70 -0.37 0.00 0.00 0.00 0.00 176.54 176.88 1y8m h TYR 88 N 0.30 0.02 0.00 0.00 3.20 0.21 -2.74 116.97 117.96 1y8m h TYR 88 Ca 0.03 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1y8m h TYR 88 Cb 0.79 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1y8m h TYR 88 CO 0.02 0.30 -0.14 0.87 -1.64 0.00 0.00 178.16 177.56 1y8m h LYS 89 N -0.27 0.00 0.00 1.82 1.57 -1.50 -3.31 116.57 114.88 1y8m h LYS 89 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1y8m h LYS 89 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1y8m h LYS 89 CO 0.00 0.14 -0.73 -0.07 -0.57 0.00 0.00 179.45 178.23 1y8m h LEU 90 N 0.00 0.00 0.00 2.94 3.38 -1.28 -3.48 115.31 116.87 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 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1y8m h LEU 90 CO 0.02 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1y8m n GLY 91 N 1.11 1.61 3.02 0.83 0.00 -1.12 -5.03 105.19 105.61 1y8m n GLY 91 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 3.70 0.17 1.61 1.02 -1.05 -4.70 120.64 121.39 1y8m n GLU 92 Ca 0.00 -3.78 0.06 0.00 -0.02 0.00 0.00 57.16 53.42 1y8m n GLU 92 Cb 0.00 -2.87 0.11 0.00 -0.02 0.00 0.00 31.44 28.66 1y8m n GLU 92 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1y8m h TYR 93 N 6.00 0.00 -0.00 -0.32 0.05 -1.87 -2.91 116.97 117.92 1y8m h TYR 93 Ca 0.34 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.13 1y8m h TYR 93 Cb 0.68 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1y8m h TYR 93 CO 1.17 0.31 -0.05 0.77 -1.05 0.00 0.00 178.16 179.31 1y8m h SER 94 N 0.00 -0.13 0.81 3.88 0.02 -1.92 -1.60 113.55 114.62 1y8m h SER 94 Ca -0.00 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1y8m h SER 94 Cb 1.20 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 1y8m h SER 94 CO 0.04 -0.07 -0.65 0.00 -1.14 0.00 0.00 176.83 175.01 1y8m h MET 95 N -0.08 0.00 -0.43 3.45 -0.00 -1.97 -2.99 114.93 112.91 1y8m h MET 95 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.76 1y8m h MET 95 Cb 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.67 1y8m h MET 95 CO -0.05 0.65 0.21 0.00 -0.00 0.00 0.00 176.91 177.72 1y8m h ALA 96 N 1.35 0.54 -0.54 -3.00 0.00 -1.22 -1.14 119.26 115.25 1y8m h ALA 96 Ca -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1y8m h ALA 96 Cb 1.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1y8m h ALA 96 CO 0.08 -0.16 0.16 -0.22 0.00 0.00 0.00 179.25 179.12 1y8m h LYS 97 N 0.41 0.81 -0.47 0.00 3.64 -1.22 -2.47 116.57 117.28 1y8m h LYS 97 Ca 0.19 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1y8m h LYS 97 Cb 0.11 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1y8m h LYS 97 CO -0.15 0.71 -0.12 0.07 -2.27 0.00 0.00 179.45 177.70 1y8m h ARG 98 N 0.79 0.86 0.06 1.90 0.11 -1.11 -1.50 114.38 115.49 1y8m h ARG 98 Ca 0.18 -0.30 -0.00 0.00 0.10 0.00 0.00 59.98 59.96 1y8m h ARG 98 Cb 0.24 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1y8m h ARG 98 CO -0.01 0.93 -0.03 1.88 0.10 0.00 0.00 179.97 182.84 1y8m h TYR 99 N 0.77 -0.07 -0.58 4.08 0.05 -1.03 -2.70 116.97 117.48 1y8m h TYR 99 Ca 0.13 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 1y8m h TYR 99 Cb 0.63 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 1y8m h TYR 99 CO 0.04 0.45 0.33 -0.24 -1.05 0.00 0.00 178.16 177.68 1y8m h VAL 100 N -0.64 1.17 -0.21 -2.88 3.04 -1.48 -1.71 116.25 113.54 1y8m h VAL 100 Ca -0.01 -0.41 0.01 0.00 -1.01 0.00 0.00 66.70 65.29 1y8m h VAL 100 Cb 0.55 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.19 1y8m h VAL 100 CO 0.01 0.18 0.10 -0.78 -1.01 0.00 0.00 177.57 176.08 1y8m h ASP 101 N 0.80 0.15 -0.48 3.17 3.58 -1.25 0.52 116.42 122.91 1y8m h ASP 101 Ca 0.21 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1y8m h ASP 101 Cb -0.00 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1y8m h ASP 101 CO -0.04 0.12 0.21 0.74 -2.88 0.00 0.00 179.24 177.40 1y8m h THR 102 N 0.22 1.20 -0.35 2.25 2.02 -1.09 -2.61 112.91 114.54 1y8m h THR 102 Ca 0.08 -0.58 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 1y8m h THR 102 Cb 0.02 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1y8m h THR 102 CO -0.06 0.22 -0.14 0.25 0.37 0.00 0.00 175.52 176.17 1y8m h LEU 103 N 0.63 0.72 -1.64 2.58 5.85 -0.93 -2.92 115.31 119.60 1y8m h LEU 103 Ca 0.16 -0.39 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1y8m h LEU 103 Cb 0.15 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1y8m h LEU 103 CO -0.02 0.95 0.38 0.15 -0.34 0.00 0.00 178.44 179.56 1y8m h PHE 104 N 0.49 0.44 -0.87 1.25 3.57 0.18 -0.86 116.94 121.14 1y8m h PHE 104 Ca 0.08 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.67 1y8m h PHE 104 Cb 0.67 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 1y8m h PHE 104 CO 0.06 0.22 0.53 0.93 -2.23 0.00 0.00 178.31 177.82 1y8m h GLU 105 N 0.42 0.89 0.00 1.11 4.39 -1.26 -3.44 114.58 116.70 1y8m h GLU 105 Ca 0.25 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1y8m h GLU 105 Cb 0.45 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1y8m h GLU 105 CO -0.07 0.59 0.00 1.58 -1.16 0.00 0.00 179.01 179.95 1y8m n HIS 106 N -4.66 0.00 0.00 4.33 -0.00 -0.33 -4.99 115.22 109.58 1y8m n HIS 106 Ca 0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1y8m n HIS 106 Cb 0.23 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 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 0.00 0.00 0.00 1.57 2.13 -1.25 -4.79 120.64 118.30 1y8m n GLU 107 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1y8m n GLU 107 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 9.96 0.00 -1.99 5.31 0.63 -1.26 -5.09 116.66 124.22 1y8m n ARG 108 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1y8m n ARG 108 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 1y8m n ARG 108 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1y8m n ASN 109 N 0.00 -0.58 -4.74 6.15 0.23 -1.26 -5.02 115.26 110.04 1y8m n ASN 109 Ca 0.00 -1.43 -0.42 0.00 -0.53 0.00 0.00 54.58 52.20 1y8m n ASN 109 Cb 0.00 0.35 -0.02 0.00 -2.08 0.00 0.00 39.78 38.03 1y8m n ASN 109 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1y8m n ASN 110 N -0.47 3.88 0.13 0.53 5.15 -1.26 -4.79 115.26 118.43 1y8m n ASN 110 Ca -0.09 1.13 0.04 0.00 -0.60 0.00 0.00 54.58 55.06 1y8m n ASN 110 Cb 0.62 -1.59 0.20 0.00 -0.53 0.00 0.00 39.78 38.48 1y8m n ASN 110 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1y8m n LYS 111 N 2.50 0.05 0.09 1.20 5.02 -1.26 -0.07 118.16 125.70 1y8m n LYS 111 Ca 0.10 0.47 -0.13 0.00 -2.02 0.00 0.00 58.31 56.73 1y8m n LYS 111 Cb 0.36 -2.08 -0.09 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.26 0.05 1.97 1.08 -1.97 -1.33 115.11 115.17 1y8m h GLN 112 Ca 0.00 -0.37 -0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1y8m h GLN 112 Cb 0.82 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1y8m h GLN 112 CO 0.00 1.12 -0.02 0.28 -0.95 0.00 0.00 178.83 179.26 1y8m h VAL 113 N 0.11 1.19 -0.94 -0.54 2.07 -0.82 2.28 116.25 119.60 1y8m h VAL 113 Ca -0.09 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1y8m h VAL 113 Cb 1.76 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 33.19 1y8m h VAL 113 CO 0.17 0.20 0.60 1.23 0.02 0.00 0.00 177.57 179.79 1y8m h GLY 114 N -0.41 1.33 1.60 2.17 0.00 -1.61 0.22 103.07 106.37 1y8m h GLY 114 Ca -0.01 -0.52 -0.25 0.00 0.00 0.00 0.00 47.33 46.55 1y8m h GLY 114 CO 0.01 0.51 -1.12 0.00 0.00 0.00 0.00 176.54 175.94 1y8m h ALA 115 N 1.38 0.21 0.08 3.60 0.00 -1.00 -2.70 119.26 120.83 1y8m h ALA 115 Ca 0.34 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1y8m h ALA 115 Cb -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1y8m h ALA 115 CO -0.07 0.90 -0.04 1.25 0.00 0.00 0.00 179.25 181.29 1y8m h LEU 116 N 0.14 -0.09 -1.83 0.00 5.85 0.43 -2.58 115.31 117.23 1y8m h LEU 116 Ca -0.11 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.26 1y8m h LEU 116 Cb 1.81 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.84 1y8m h LEU 116 CO 0.19 0.39 0.24 0.07 -0.34 0.00 0.00 178.44 178.98 1y8m h LYS 117 N -0.60 0.20 0.00 1.25 2.10 -0.68 -0.29 116.57 118.55 1y8m h LYS 117 Ca -0.01 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.58 1y8m h LYS 117 Cb 0.50 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 1y8m h LYS 117 CO 0.02 0.13 -0.22 0.77 -2.00 0.00 0.00 179.45 178.15 1y8m h SER 118 N 0.21 0.00 -0.00 7.07 0.02 -1.31 0.20 113.55 119.74 1y8m h SER 118 Ca 0.15 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.94 1y8m h SER 118 Cb 0.35 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1y8m h SER 118 CO -0.03 0.22 -0.63 -0.03 -1.14 0.00 0.00 176.83 175.22 1y8m h MET 119 N 0.00 0.43 -0.07 3.45 4.05 -0.65 -1.25 114.93 120.89 1y8m h MET 119 Ca -0.00 -0.46 -0.02 0.00 -0.28 0.00 0.00 59.70 58.94 1y8m h MET 119 Cb 0.72 0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.65 1y8m h MET 119 CO 0.03 1.12 -0.03 0.28 0.23 0.00 0.00 176.91 178.53 1y8m h VAL 120 N -0.08 1.32 -0.18 -5.77 2.07 -1.38 0.34 116.25 112.57 1y8m h VAL 120 Ca -0.08 -1.04 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 1y8m h VAL 120 Cb 1.33 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1y8m h VAL 120 CO 0.12 0.29 -0.24 -0.08 0.02 0.00 0.00 177.57 177.68 1y8m h GLU 121 N -0.22 0.34 -0.03 1.57 4.57 -0.69 0.13 114.58 120.25 1y8m h GLU 121 Ca 0.02 -0.11 -0.21 0.00 -1.18 0.00 0.00 59.36 57.87 1y8m h GLU 121 Cb 0.47 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1y8m h GLU 121 CO 0.01 0.56 -0.87 -0.44 -1.18 0.00 0.00 179.01 177.09 1y8m h ASP 122 N 0.30 0.53 0.08 1.04 5.19 -1.14 -2.62 116.42 119.82 1y8m h ASP 122 Ca 0.05 -0.40 -0.23 0.00 -0.62 0.00 0.00 57.03 55.83 1y8m h ASP 122 Cb 0.59 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 39.95 1y8m h ASP 122 CO 0.04 1.18 -0.89 0.50 -3.12 0.00 0.00 179.24 176.95 1y8m h LYS 123 N 0.26 0.61 0.00 3.56 1.63 -0.56 -2.91 116.57 119.16 1y8m h LYS 123 Ca -0.06 -0.58 -0.04 0.00 -0.85 0.00 0.00 60.65 59.11 1y8m h LYS 123 Cb 1.49 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 33.26 1y8m h LYS 123 CO 0.15 1.20 -0.20 0.82 -3.45 0.00 0.00 179.45 177.96 1y8m h ILE 124 N 0.38 0.68 -0.23 2.00 2.04 -0.77 -2.15 117.51 119.45 1y8m h ILE 124 Ca -0.08 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.80 1y8m h ILE 124 Cb 1.52 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1y8m h ILE 124 CO 0.17 0.20 -0.30 1.56 0.00 0.00 0.00 178.15 179.78 1y8m h GLN 125 N 0.00 0.46 -0.50 2.37 1.08 -1.27 -2.57 115.11 114.69 1y8m h GLN 125 Ca -0.00 -0.19 -0.09 0.00 -1.45 0.00 0.00 58.65 56.91 1y8m h GLN 125 Cb 0.54 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1y8m h GLN 125 CO 0.03 0.72 -0.06 0.87 -0.95 0.00 0.00 178.83 179.43 1y8m h LYS 126 N 0.40 0.88 -0.40 1.46 1.57 -1.29 -1.95 116.57 117.24 1y8m h LYS 126 Ca 0.05 -0.28 0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1y8m h LYS 126 Cb 0.73 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1y8m h LYS 126 CO 0.06 0.92 0.27 0.93 -0.57 0.00 0.00 179.45 181.05 1y8m h GLU 127 N 0.80 0.34 0.00 3.15 5.08 -1.36 -3.47 114.58 119.12 1y8m h GLU 127 Ca 0.14 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1y8m h GLU 127 Cb 0.57 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1y8m h GLU 127 CO 0.03 0.23 0.00 2.41 -1.00 0.00 0.00 179.01 180.68 1y8m n THR 128 N -4.48 0.00 -0.29 1.13 -1.04 -0.74 -2.56 114.28 106.30 1y8m n THR 128 Ca 0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.08 1y8m n THR 128 Cb 0.21 0.00 0.25 0.00 -1.82 0.00 0.00 70.33 68.97 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 4.33 -3.29 -4.42 -0.00 -1.26 -4.93 117.00 107.44 1y8m n LEU 129 Ca 0.00 -2.21 -0.11 0.00 -0.00 0.00 0.00 56.01 53.68 1y8m n LEU 129 Cb 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 42.79 1y8m n LEU 129 CO 0.00 0.55 0.08 0.29 -0.00 0.00 0.00 177.39 178.31 1y8m n LYS 130 N 0.29 -1.58 0.00 1.96 5.02 -1.06 -4.99 118.16 117.80 1y8m n LYS 130 Ca 0.21 1.36 0.00 0.00 -2.02 0.00 0.00 58.31 57.86 1y8m n LYS 130 Cb 0.94 -4.43 0.00 0.00 -0.02 0.00 0.00 35.03 31.52 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 -1.42 -0.21 3.05 0.72 0.00 -1.26 -4.66 105.19 101.41 1y8m n GLY 131 Ca -0.09 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1y8m n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1y8m n VAL 132 N 0.00 -8.34 -0.72 1.61 0.31 -1.26 -4.49 118.33 105.44 1y8m n VAL 132 Ca 0.00 0.78 0.00 0.00 -0.01 0.00 0.00 64.34 65.11 1y8m n VAL 132 Cb 0.00 -5.76 0.00 0.00 -0.91 0.00 0.00 33.84 27.17 1y8m n VAL 132 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1y8m n VAL 133 N 0.05 0.00 -2.18 2.52 0.31 -1.26 -4.57 118.33 113.20 1y8m n VAL 133 Ca 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.09 1y8m n VAL 133 Cb 0.45 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.54 1y8m n VAL 133 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1y8m s VAL 134 N 0.00 2.05 0.00 2.52 -7.23 -1.26 -5.02 120.40 111.46 1y8m s VAL 134 Ca 0.00 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 1y8m s VAL 134 Cb 0.00 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1y8m s VAL 134 CO 0.00 0.00 0.68 0.00 -0.31 0.00 0.00 175.10 175.47 1y8m n ALA 135 N -3.39 -0.16 -1.04 1.32 0.00 -1.26 -4.93 120.51 111.05 1y8m n ALA 135 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.64 1y8m n ALA 135 Cb 0.60 0.04 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.71 -1.30 0.00 0.00 0.00 -1.26 -4.96 105.19 96.97 1y8m n GLY 136 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.20 -1.62 3.57 -0.02 0.00 -1.26 -5.07 105.19 99.60 1y8m n GLY 137 Ca 0.00 0.88 -0.37 0.00 0.00 0.00 0.00 46.02 46.53 1y8m n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y8m s VAL 138 N 0.00 3.87 0.00 1.61 0.11 -1.26 -4.89 120.40 119.84 1y8m s VAL 138 Ca 0.00 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 1y8m s VAL 138 Cb 0.00 -4.89 0.00 0.00 -1.53 0.00 0.00 36.38 29.96 1y8m s VAL 138 CO 0.00 -1.65 0.00 1.41 -3.33 0.00 0.00 175.10 171.53 1y8m n HIS 139 N 10.49 0.00 -1.80 1.54 8.25 -1.26 -4.36 115.22 128.08 1y8m n HIS 139 Ca 0.43 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.47 1y8m n HIS 139 Cb 0.47 0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 1y8m n HIS 139 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1y8m s HIS 140 N 0.00 2.74 0.72 4.41 0.00 -1.26 -4.96 115.29 116.94 1y8m s HIS 140 Ca 0.00 0.34 -0.12 0.00 -3.00 0.00 0.00 55.06 52.28 1y8m s HIS 140 Cb 0.00 -4.08 0.03 0.00 -4.00 0.00 0.00 32.58 24.53 1y8m s HIS 140 CO 0.00 -4.16 1.08 -1.58 -1.00 0.00 0.00 174.74 169.08 1y8m s HIS 141 N 1.65 2.76 0.80 0.38 5.04 -1.26 -4.99 115.29 119.66 1y8m s HIS 141 Ca 0.75 1.52 -0.12 0.00 -1.54 0.00 0.00 55.06 55.66 1y8m s HIS 141 Cb -0.46 -3.02 0.08 0.00 0.04 0.00 0.00 32.58 29.22 1y8m s HIS 141 CO 0.33 -1.58 1.14 -1.01 -2.34 0.00 0.00 174.74 171.27 1y8m s HIS 142 N -2.84 2.09 -1.65 3.88 3.76 -1.26 -4.87 115.29 114.40 1y8m s HIS 142 Ca 0.61 1.66 0.24 0.00 -0.15 0.00 0.00 55.06 57.42 1y8m s HIS 142 Cb -0.17 -3.27 1.30 0.00 1.11 0.00 0.00 32.58 31.55 1y8m s HIS 142 CO 0.52 -2.36 1.80 0.72 -0.85 0.00 0.00 174.74 174.57 1y8m n HIS 143 N -3.48 0.00 -1.62 1.40 -0.00 -1.26 -5.27 115.22 104.99 1y8m n HIS 143 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1y8m n HIS 143 Cb 0.52 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.34 1y8m n HIS 143 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95