#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 0.00 -3.02 2.03 -2.24 -1.26 -4.99 114.28 104.80 1y8m n THR 2 Ca 0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.33 1y8m n THR 2 Cb 0.00 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 1y8m n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1y8m s LYS 3 N -1.62 3.62 0.00 -0.78 1.02 -1.26 -4.92 119.74 115.80 1y8m s LYS 3 Ca 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 55.97 54.04 1y8m s LYS 3 Cb 0.00 -4.81 0.00 0.00 -0.52 0.00 0.00 37.83 32.50 1y8m s LYS 3 CO 0.00 -1.66 0.00 0.28 -0.92 0.00 0.00 175.35 173.05 1y8m n VAL 4 N 5.12 0.00 -2.71 3.17 0.31 -1.26 -5.07 118.33 117.89 1y8m n VAL 4 Ca 0.22 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.52 1y8m n VAL 4 Cb 0.48 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.39 1y8m n VAL 4 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1y8m n ASP 5 N 0.00 -3.56 0.00 4.52 9.92 -1.26 -4.93 116.55 121.24 1y8m n ASP 5 Ca 0.00 1.25 0.00 0.00 -0.53 0.00 0.00 54.79 55.51 1y8m n ASP 5 Cb 0.00 -3.80 0.00 0.00 -0.64 0.00 0.00 41.12 36.68 1y8m n ASP 5 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1y8m n PHE 6 N 2.04 0.00 -4.36 1.24 7.35 -1.26 -4.86 117.46 117.61 1y8m n PHE 6 Ca -0.23 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.26 1y8m n PHE 6 Cb 0.35 -0.31 -0.16 0.00 0.35 0.00 0.00 39.48 39.72 1y8m n PHE 6 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1y8m s TRP 7 N -1.73 0.92 1.34 -5.13 0.51 -1.26 -5.14 118.94 108.44 1y8m s TRP 7 Ca 0.00 -0.23 -0.18 0.00 -2.12 0.00 0.00 56.10 53.56 1y8m s TRP 7 Cb 0.00 -0.67 0.34 0.00 -0.81 0.00 0.00 33.47 32.34 1y8m s TRP 7 CO 0.00 -0.11 0.95 -1.25 -0.51 0.00 0.00 176.95 176.04 1y8m s PRO 8 N 0.26 -2.28 0.22 4.98 0.04 -1.26 -5.03 135.00 131.93 1y8m s PRO 8 Ca -0.04 0.47 0.04 0.00 0.04 0.00 0.00 61.00 61.51 1y8m s PRO 8 Cb -0.09 -1.42 -0.03 0.00 0.04 0.00 0.00 34.50 32.99 1y8m s PRO 8 CO 0.00 -4.53 0.34 0.95 0.04 0.00 0.00 177.00 173.81 1y8m s THR 9 N -2.28 5.27 0.38 1.26 -4.23 -1.26 -4.99 115.64 109.80 1y8m s THR 9 Ca 0.69 -0.89 0.07 0.00 -1.18 0.00 0.00 61.69 60.38 1y8m s THR 9 Cb -0.19 -3.83 0.21 0.00 1.34 0.00 0.00 72.50 70.03 1y8m s THR 9 CO 0.62 -0.27 1.97 0.25 -0.54 0.00 0.00 174.62 176.65 1y8m h LEU 10 N 1.44 0.42 -1.53 4.79 5.85 -1.97 -0.52 115.31 123.79 1y8m h LEU 10 Ca -0.51 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 1y8m h LEU 10 Cb 1.22 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1y8m h LEU 10 CO 0.63 0.42 -0.16 0.50 -0.34 0.00 0.00 178.44 179.49 1y8m h LYS 11 N 0.46 0.11 -0.20 1.25 1.63 -2.04 -1.00 116.57 116.78 1y8m h LYS 11 Ca 0.11 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1y8m h LYS 11 Cb 0.15 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1y8m h LYS 11 CO -0.01 0.27 0.19 0.22 -3.45 0.00 0.00 179.45 176.68 1y8m h ASP 12 N 0.10 0.00 -0.01 4.20 3.58 -1.47 0.52 116.42 123.34 1y8m h ASP 12 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1y8m h ASP 12 Cb 0.34 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 1y8m h ASP 12 CO 0.02 0.00 0.10 0.00 -2.88 0.00 0.00 179.24 176.48 1y8m h ALA 13 N 1.80 1.14 0.14 -0.78 0.00 -1.23 -1.76 119.26 118.57 1y8m h ALA 13 Ca 0.10 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1y8m h ALA 13 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1y8m h ALA 13 CO -0.00 -0.10 -1.01 1.88 0.00 0.00 0.00 179.25 180.02 1y8m h TYR 14 N 0.00 0.53 -0.27 0.00 -1.99 -1.06 -3.40 116.97 110.77 1y8m h TYR 14 Ca 0.00 -0.38 -0.65 0.00 2.00 0.00 0.00 58.73 59.70 1y8m h TYR 14 Cb 0.20 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 38.86 1y8m h TYR 14 CO 0.00 1.39 1.50 0.39 -0.00 0.00 0.00 178.16 181.44 1y8m n GLU 15 N -4.06 0.24 -0.12 4.88 1.02 -0.66 -4.88 120.64 117.05 1y8m n GLU 15 Ca -0.17 0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 56.94 1y8m n GLU 15 Cb 0.85 -1.77 0.07 0.00 -0.02 0.00 0.00 31.44 30.57 1y8m n GLU 15 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1y8m n PRO 16 N 8.03 -2.39 -3.94 3.49 -0.02 -1.26 -4.88 135.00 134.02 1y8m n PRO 16 Ca 0.55 -0.40 -0.09 0.00 -2.02 0.00 0.00 63.50 61.55 1y8m n PRO 16 Cb 0.06 -0.47 -0.09 0.00 -0.02 0.00 0.00 33.50 32.98 1y8m n PRO 16 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1y8m s LEU 17 N 0.00 1.85 0.33 2.45 1.43 -1.26 -5.05 118.68 118.44 1y8m s LEU 17 Ca 0.18 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 1y8m s LEU 17 Cb -0.03 0.63 -0.06 0.00 0.03 0.00 0.00 46.19 46.76 1y8m s LEU 17 CO 0.14 -0.59 0.65 -0.31 0.23 0.00 0.00 176.35 176.48 1y8m s TYR 18 N -3.21 3.46 0.63 0.29 2.02 -1.26 -4.95 117.35 114.33 1y8m s TYR 18 Ca 0.00 0.85 0.37 0.00 -0.37 0.00 0.00 57.07 57.92 1y8m s TYR 18 Cb 0.02 -2.27 2.10 0.00 -0.40 0.00 0.00 41.96 41.41 1y8m s TYR 18 CO -0.07 0.06 2.28 -1.00 -1.57 0.00 0.00 175.55 175.25 1y8m h PRO 19 N 1.61 0.00 0.01 -1.71 0.13 -2.01 -1.39 132.00 128.63 1y8m h PRO 19 Ca -0.47 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 1y8m h PRO 19 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1y8m h PRO 19 CO 0.65 0.00 -0.93 1.96 -0.23 0.00 0.00 178.00 179.45 1y8m h GLN 20 N 0.00 0.31 -0.02 0.86 7.50 -2.00 -2.83 115.11 118.94 1y8m h GLN 20 Ca 0.01 -0.35 -0.12 0.00 0.50 0.00 0.00 58.65 58.69 1y8m h GLN 20 Cb 0.09 0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.71 1y8m h GLN 20 CO -0.00 1.05 -0.55 1.96 -1.50 0.00 0.00 178.83 179.79 1y8m h GLN 21 N 0.17 0.05 -0.07 1.46 1.08 -1.64 -2.94 115.11 113.22 1y8m h GLN 21 Ca -0.07 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.01 1y8m h GLN 21 Cb 1.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.01 1y8m h GLN 21 CO 0.15 0.59 -0.33 1.25 -0.95 0.00 0.00 178.83 179.54 1y8m h LEU 22 N 0.04 0.41 -1.74 1.46 5.85 -1.49 -3.07 115.31 116.76 1y8m h LEU 22 Ca -0.00 -0.65 -0.03 0.00 0.84 0.00 0.00 57.88 58.04 1y8m h LEU 22 Cb 0.98 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1y8m h LEU 22 CO 0.07 0.99 -0.13 1.05 -0.34 0.00 0.00 178.44 180.08 1y8m h GLU 23 N -0.15 0.00 -0.10 1.25 4.11 -1.51 -2.37 114.58 115.81 1y8m h GLU 23 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1y8m h GLU 23 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1y8m h GLU 23 CO 0.07 0.13 0.04 0.82 0.07 0.00 0.00 179.01 180.14 1y8m h ILE 24 N 0.00 1.16 -0.11 -1.06 2.04 -1.48 0.11 117.51 118.16 1y8m h ILE 24 Ca -0.00 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.41 1y8m h ILE 24 Cb 0.24 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1y8m h ILE 24 CO 0.02 0.14 0.09 -0.07 0.00 0.00 0.00 178.15 178.33 1y8m h LEU 25 N -0.00 0.00 -0.09 1.44 3.38 -1.34 -0.18 115.31 118.52 1y8m h LEU 25 Ca 0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 1y8m h LEU 25 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1y8m h LEU 25 CO -0.00 0.00 -1.03 0.03 0.09 0.00 0.00 178.44 177.52 1y8m h ARG 26 N 0.00 0.25 -0.59 1.13 3.08 -0.97 -2.84 114.38 114.45 1y8m h ARG 26 Ca 0.05 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1y8m h ARG 26 Cb 0.23 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1y8m h ARG 26 CO -0.00 1.09 0.38 0.37 -1.07 0.00 0.00 179.97 180.74 1y8m h GLN 27 N 0.11 0.78 -0.18 0.04 5.75 0.10 0.99 115.11 122.70 1y8m h GLN 27 Ca -0.08 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.30 1y8m h GLN 27 Cb 1.71 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 30.08 1y8m h GLN 27 CO 0.17 0.53 -0.18 1.96 -2.65 0.00 0.00 178.83 178.65 1y8m h GLN 28 N 0.79 0.31 0.00 1.69 1.08 -1.45 0.64 115.11 118.18 1y8m h GLN 28 Ca 0.21 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1y8m h GLN 28 Cb -0.07 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1y8m h GLN 28 CO -0.04 0.49 -0.00 0.28 -0.95 0.00 0.00 178.83 178.60 1y8m h VAL 29 N 0.29 1.58 -0.49 -0.54 2.07 -1.00 -2.76 116.25 115.40 1y8m h VAL 29 Ca 0.05 -2.11 -0.10 0.00 0.82 0.00 0.00 66.70 65.36 1y8m h VAL 29 Cb 0.49 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.18 1y8m h VAL 29 CO 0.03 0.52 -0.11 0.58 0.02 0.00 0.00 177.57 178.61 1y8m h VAL 30 N -0.96 1.26 -0.10 2.57 2.07 0.10 0.96 116.25 122.15 1y8m h VAL 30 Ca -0.00 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 1y8m h VAL 30 Cb 0.86 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1y8m h VAL 30 CO 0.00 0.42 -0.30 0.77 0.02 0.00 0.00 177.57 178.48 1y8m h SER 31 N 0.80 0.19 0.49 0.57 4.64 0.18 -1.96 113.55 118.46 1y8m h SER 31 Ca 0.13 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1y8m h SER 31 Cb 0.63 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1y8m h SER 31 CO 0.04 0.49 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.83 1y8m n GLU 32 N -4.13 0.51 0.00 4.77 -0.58 -1.04 -4.83 120.64 115.35 1y8m n GLU 32 Ca -0.01 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1y8m n GLU 32 Cb 0.39 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 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 1.28 1.75 7.00 0.62 0.00 -0.74 -4.19 105.19 110.91 1y8m n GLY 33 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.11 3.28 0.34 -0.02 0.00 0.33 -2.69 105.19 106.32 1y8m n GLY 34 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1y8m n GLY 34 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1y8m h PRO 35 N 0.00 1.05 -0.04 1.61 0.11 -1.95 0.90 132.00 133.69 1y8m h PRO 35 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1y8m h PRO 35 Cb 0.00 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.87 1y8m h PRO 35 CO 0.00 0.70 0.00 0.25 -0.21 0.00 0.00 178.00 178.74 1y8m n THR 36 N -4.55 0.00 -1.54 -1.15 -2.24 -1.09 -4.79 114.28 98.92 1y8m n THR 36 Ca 0.12 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.59 1y8m n THR 36 Cb 0.13 -0.24 0.06 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.92 2.53 0.84 6.98 0.00 0.31 -4.74 121.76 125.75 1y8m s ALA 37 Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.05 1y8m s ALA 37 Cb 0.00 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 19.98 1y8m s ALA 37 CO 0.00 -1.36 1.06 0.25 0.00 0.00 0.00 175.76 175.71 1y8m n THR 38 N -3.07 1.38 -0.16 0.00 -2.24 -1.26 -4.84 114.28 104.08 1y8m n THR 38 Ca 0.08 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 1y8m n THR 38 Cb 0.53 -1.06 0.01 0.00 -2.10 0.00 0.00 70.33 67.71 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 -1.15 1.14 -0.45 2.28 2.04 -1.95 -1.30 117.51 118.12 1y8m h ILE 39 Ca -0.45 -0.29 0.13 0.00 1.00 0.00 0.00 64.86 65.25 1y8m h ILE 39 Cb 1.29 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1y8m h ILE 39 CO 0.43 0.14 0.37 -0.61 0.00 0.00 0.00 178.15 178.48 1y8m h GLN 40 N 0.63 0.00 -0.12 2.37 4.15 -1.99 0.29 115.11 120.44 1y8m h GLN 40 Ca 0.17 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.56 1y8m h GLN 40 Cb -0.03 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.65 1y8m h GLN 40 CO -0.03 0.00 -0.04 0.66 -1.93 0.00 0.00 178.83 177.48 1y8m h SER 41 N 0.00 0.24 0.07 -0.69 4.64 -1.57 -2.84 113.55 113.40 1y8m h SER 41 Ca 0.22 -0.40 -0.16 0.00 -0.47 0.00 0.00 61.79 60.98 1y8m h SER 41 Cb 0.95 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1y8m h SER 41 CO -0.00 0.58 -0.57 0.03 -0.87 0.00 0.00 176.83 176.00 1y8m h ARG 42 N -0.10 0.52 -0.23 4.77 3.08 -1.14 -2.67 114.38 118.60 1y8m h ARG 42 Ca 0.03 -0.34 0.05 0.00 0.07 0.00 0.00 59.98 59.79 1y8m h ARG 42 Cb 0.49 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1y8m h ARG 42 CO 0.01 0.95 -0.12 0.35 -1.07 0.00 0.00 179.97 180.09 1y8m h PHE 43 N 0.40 -0.30 -0.41 3.04 3.04 -0.95 -0.98 116.94 120.78 1y8m h PHE 43 Ca 0.00 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.87 1y8m h PHE 43 Cb 1.11 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 1y8m h PHE 43 CO 0.04 -0.19 -0.16 -0.91 -2.02 0.00 0.00 178.31 175.08 1y8m h ASN 44 N -0.10 0.86 -0.88 0.41 -0.26 -1.51 -2.75 115.58 111.35 1y8m h ASN 44 Ca 0.12 -0.39 0.16 0.00 -0.56 0.00 0.00 56.30 55.64 1y8m h ASN 44 Cb 0.29 -0.24 -0.07 0.00 -1.06 0.00 0.00 38.32 37.24 1y8m h ASN 44 CO -0.29 1.05 0.57 0.22 -1.06 0.00 0.00 177.43 177.92 1y8m h TYR 45 N 0.66 0.72 -0.02 1.19 3.20 -1.05 0.34 116.97 122.00 1y8m h TYR 45 Ca 0.10 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 1y8m h TYR 45 Cb 0.71 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1y8m h TYR 45 CO 0.05 0.25 -0.54 0.00 -1.64 0.00 0.00 178.16 176.28 1y8m h ALA 46 N 1.61 1.05 -0.06 1.82 0.00 -0.91 -3.09 119.26 119.68 1y8m h ALA 46 Ca 0.45 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1y8m h ALA 46 Cb 0.84 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1y8m h ALA 46 CO -0.20 0.68 0.02 2.35 0.00 0.00 0.00 179.25 182.10 1y8m h TRP 47 N 0.05 0.10 -0.90 0.00 2.91 -0.12 -1.81 115.95 116.18 1y8m h TRP 47 Ca -0.00 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.07 1y8m h TRP 47 Cb 0.98 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.53 1y8m h TRP 47 CO 0.01 0.26 0.57 0.78 -1.03 0.00 0.00 178.44 179.03 1y8m h GLY 48 N -0.09 1.37 2.00 2.65 0.00 -1.43 0.79 103.07 108.35 1y8m h GLY 48 Ca 0.02 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1y8m h GLY 48 CO -0.00 0.28 -0.20 1.41 0.00 0.00 0.00 176.54 178.03 1y8m h LEU 49 N 1.03 0.00 -0.34 3.11 3.38 -1.42 -2.37 115.31 118.70 1y8m h LEU 49 Ca 0.39 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.17 1y8m h LEU 49 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1y8m h LEU 49 CO -0.18 0.20 -0.80 0.40 0.09 0.00 0.00 178.44 178.15 1y8m h ILE 50 N 0.00 1.41 0.00 1.22 1.08 0.01 -2.84 117.51 118.39 1y8m h ILE 50 Ca -0.00 -2.31 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 1y8m h ILE 50 Cb 0.43 2.26 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 1y8m h ILE 50 CO 0.03 0.69 0.00 0.29 -0.69 0.00 0.00 178.15 178.46 1y8m n LYS 51 N -3.78 0.08 -1.55 2.37 4.76 -0.78 -4.80 118.16 114.47 1y8m n LYS 51 Ca -0.05 0.14 -0.34 0.00 -2.87 0.00 0.00 58.31 55.19 1y8m n LYS 51 Cb 0.75 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.52 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 -2.88 4.53 -0.01 4.39 0.15 -1.07 -4.46 113.70 114.35 1y8m s SER 52 Ca 0.13 2.21 0.03 0.00 0.70 0.00 0.00 55.95 59.02 1y8m s SER 52 Cb 0.13 -2.57 -0.25 0.00 -1.71 0.00 0.00 66.02 61.62 1y8m s SER 52 CO 0.35 -2.03 0.78 0.71 1.20 0.00 0.00 173.24 174.25 1y8m h THR 53 N -0.19 1.05 -4.10 6.45 1.35 -1.88 -3.47 112.91 112.13 1y8m h THR 53 Ca -0.47 -2.78 -0.49 0.00 -0.55 0.00 0.00 66.41 62.12 1y8m h THR 53 Cb 1.28 2.63 0.05 0.00 -1.73 0.00 0.00 68.15 70.37 1y8m h THR 53 CO 0.51 0.74 0.40 -0.62 -0.25 0.00 0.00 175.52 176.31 1y8m s ASP 54 N -6.67 5.98 0.36 5.36 -1.08 -1.26 -4.93 116.67 114.43 1y8m s ASP 54 Ca -0.08 2.02 0.24 0.00 -0.52 0.00 0.00 52.55 54.20 1y8m s ASP 54 Cb 0.08 -2.56 0.49 0.00 -1.46 0.00 0.00 42.92 39.46 1y8m s ASP 54 CO 0.83 -1.03 1.66 1.62 0.52 0.00 0.00 175.17 178.76 1y8m h VAL 55 N 1.23 0.00 -0.25 1.11 3.04 -1.97 -3.29 116.25 116.11 1y8m h VAL 55 Ca -0.49 -0.83 0.02 0.00 -1.01 0.00 0.00 66.70 64.38 1y8m h VAL 55 Cb 1.24 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 32.32 1y8m h VAL 55 CO 0.58 0.00 0.11 0.78 -1.01 0.00 0.00 177.57 178.03 1y8m h ASN 56 N 0.00 0.17 0.55 3.17 2.35 -1.97 -0.86 115.58 118.98 1y8m h ASN 56 Ca 0.00 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1y8m h ASN 56 Cb 0.92 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 1y8m h ASN 56 CO 0.00 0.13 -0.34 0.44 -1.65 0.00 0.00 177.43 176.01 1y8m h ASP 57 N 0.25 0.00 0.01 5.81 5.19 -1.85 -2.79 116.42 123.03 1y8m h ASP 57 Ca 0.10 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.36 1y8m h ASP 57 Cb 0.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1y8m h ASP 57 CO -0.08 0.34 -0.49 -0.33 -3.12 0.00 0.00 179.24 175.56 1y8m h GLU 58 N 0.00 0.55 0.00 3.56 4.39 -1.36 -2.18 114.58 119.53 1y8m h GLU 58 Ca -0.00 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.30 1y8m h GLU 58 Cb 0.70 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1y8m h GLU 58 CO 0.04 0.92 -0.38 0.00 -1.16 0.00 0.00 179.01 178.43 1y8m h ARG 59 N 0.44 0.00 0.04 2.33 3.08 -0.94 -1.92 114.38 117.41 1y8m h ARG 59 Ca 0.02 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.90 1y8m h ARG 59 Cb 1.01 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.08 1y8m h ARG 59 CO 0.09 0.38 -0.69 1.25 -1.07 0.00 0.00 179.97 179.94 1y8m h LEU 60 N 0.00 0.54 -0.48 3.04 5.85 -1.33 -3.03 115.31 119.90 1y8m h LEU 60 Ca -0.00 -0.81 -0.06 0.00 0.84 0.00 0.00 57.88 57.85 1y8m h LEU 60 Cb 0.85 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1y8m h LEU 60 CO 0.05 1.28 0.07 1.23 -0.34 0.00 0.00 178.44 180.73 1y8m h GLY 61 N -0.14 0.87 0.67 3.75 0.00 -1.34 -2.26 103.07 104.62 1y8m h GLY 61 Ca -0.10 -0.59 0.07 0.00 0.00 0.00 0.00 47.33 46.72 1y8m h GLY 61 CO 0.13 0.55 0.55 -2.08 0.00 0.00 0.00 176.54 175.69 1y8m h VAL 62 N 0.68 1.01 -0.19 4.60 2.07 -1.43 0.43 116.25 123.43 1y8m h VAL 62 Ca 0.15 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 1y8m h VAL 62 Cb 0.41 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1y8m h VAL 62 CO 0.01 0.18 -0.31 0.50 0.02 0.00 0.00 177.57 177.97 1y8m h LYS 63 N 0.97 0.38 -0.05 1.57 3.64 -1.36 -2.44 116.57 119.28 1y8m h LYS 63 Ca 0.40 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1y8m h LYS 63 Cb 0.23 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1y8m h LYS 63 CO -0.19 0.65 -0.06 0.82 -2.27 0.00 0.00 179.45 178.40 1y8m h ILE 64 N 0.33 1.39 -0.55 2.00 2.04 -0.57 -0.77 117.51 121.38 1y8m h ILE 64 Ca 0.04 -1.25 0.12 0.00 1.00 0.00 0.00 64.86 64.77 1y8m h ILE 64 Cb 0.72 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 1y8m h ILE 64 CO 0.05 0.34 0.38 -0.07 0.00 0.00 0.00 178.15 178.85 1y8m h LEU 65 N -0.34 0.20 0.00 1.44 3.38 -0.88 0.24 115.31 119.36 1y8m h LEU 65 Ca 0.01 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1y8m h LEU 65 Cb 0.58 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1y8m h LEU 65 CO 0.01 0.12 -0.80 0.74 0.09 0.00 0.00 178.44 178.60 1y8m h THR 66 N 0.22 1.07 -0.04 0.22 2.02 -1.27 -2.74 112.91 112.39 1y8m h THR 66 Ca 0.26 -2.56 -0.05 0.00 0.77 0.00 0.00 66.41 64.83 1y8m h THR 66 Cb 0.72 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1y8m h THR 66 CO -0.05 0.61 -0.16 0.44 0.37 0.00 0.00 175.52 176.73 1y8m h ASP 67 N 0.00 0.22 0.07 4.18 3.32 0.87 -2.36 116.42 122.71 1y8m h ASP 67 Ca -0.04 -0.64 -0.01 0.00 0.02 0.00 0.00 57.03 56.37 1y8m h ASP 67 Cb 1.54 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 1y8m h ASP 67 CO 0.08 0.82 -0.04 0.40 -1.72 0.00 0.00 179.24 178.79 1y8m h ILE 68 N -0.38 0.72 -0.22 0.35 2.04 -0.81 -1.51 117.51 117.70 1y8m h ILE 68 Ca -0.01 -0.14 -0.19 0.00 1.00 0.00 0.00 64.86 65.52 1y8m h ILE 68 Cb 0.81 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1y8m h ILE 68 CO 0.03 0.04 -0.61 0.22 0.00 0.00 0.00 178.15 177.83 1y8m h TYR 69 N 0.00 1.03 -0.01 1.37 5.03 -1.30 -3.17 116.97 119.93 1y8m h TYR 69 Ca -0.00 -0.41 -0.17 0.00 2.58 0.00 0.00 58.73 60.73 1y8m h TYR 69 Cb 0.08 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1y8m h TYR 69 CO 0.00 1.23 -0.79 0.87 -1.32 0.00 0.00 178.16 178.15 1y8m h LYS 70 N 0.55 0.10 -1.26 1.82 1.57 -0.77 -3.29 116.57 115.30 1y8m h LYS 70 Ca -0.01 -0.10 -0.68 0.00 -1.87 0.00 0.00 60.65 57.98 1y8m h LYS 70 Cb 1.23 0.03 -0.31 0.00 0.08 0.00 0.00 32.23 33.26 1y8m h LYS 70 CO 0.13 0.84 0.64 -0.85 -0.57 0.00 0.00 179.45 179.64 1y8m n GLU 71 N -3.67 2.86 -2.83 3.15 0.28 -0.70 -4.78 120.64 114.95 1y8m n GLU 71 Ca -0.02 -3.52 0.00 0.00 -0.16 0.00 0.00 57.16 53.46 1y8m n GLU 71 Cb 0.75 -2.28 0.01 0.00 1.43 0.00 0.00 31.44 31.35 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1y8m s ALA 72 N -3.85 -3.91 -0.70 -1.84 0.00 -1.20 -4.96 121.76 105.29 1y8m s ALA 72 Ca 0.59 0.84 -0.05 0.00 0.00 0.00 0.00 51.96 53.33 1y8m s ALA 72 Cb 0.47 -2.94 -0.09 0.00 0.00 0.00 0.00 23.12 20.57 1y8m s ALA 72 CO -0.12 -2.43 2.25 0.39 0.00 0.00 0.00 175.76 175.84 1y8m n GLU 73 N 3.56 1.95 0.00 0.00 1.02 -1.26 -4.06 120.64 121.84 1y8m n GLU 73 Ca 0.09 -1.26 0.00 0.00 -0.02 0.00 0.00 57.16 55.96 1y8m n GLU 73 Cb 0.62 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1y8m n GLU 73 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1y8m n SER 74 N 3.73 0.00 -0.38 1.62 2.88 -1.26 -4.90 113.62 115.30 1y8m n SER 74 Ca 0.41 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1y8m n SER 74 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1y8m n SER 74 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1y8m n ARG 75 N -0.91 0.00 -0.07 -1.46 0.00 -1.26 -3.30 116.66 109.66 1y8m n ARG 75 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1y8m n ARG 75 Cb 0.00 -0.99 0.23 0.00 -0.00 0.00 0.00 32.46 31.70 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 0.76 0.70 -0.80 2.89 3.08 -1.90 -2.65 114.38 116.46 1y8m h ARG 76 Ca 0.00 -0.15 0.13 0.00 0.07 0.00 0.00 59.98 60.03 1y8m h ARG 76 Cb 0.00 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 29.86 1y8m h ARG 76 CO 0.00 0.67 0.40 0.07 -1.07 0.00 0.00 179.97 180.04 1y8m h ARG 77 N 0.67 0.59 -0.26 0.04 0.11 -1.94 0.22 114.38 113.82 1y8m h ARG 77 Ca 0.15 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 60.12 1y8m h ARG 77 Cb 0.32 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1y8m h ARG 77 CO 0.00 0.39 -0.14 1.49 0.10 0.00 0.00 179.97 181.81 1y8m h GLU 78 N 0.61 0.44 -0.33 0.08 4.81 -1.78 -2.89 114.58 115.53 1y8m h GLU 78 Ca 0.42 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1y8m h GLU 78 Cb 0.54 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1y8m h GLU 78 CO -0.33 0.58 -0.06 0.00 -0.73 0.00 0.00 179.01 178.47 1y8m h LEU 80 N 0.40 0.42 -0.02 0.00 3.38 -0.92 0.88 115.31 119.46 1y8m h LEU 80 Ca 0.09 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1y8m h LEU 80 Cb 0.54 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1y8m h LEU 80 CO 0.03 0.24 -0.01 0.22 0.09 0.00 0.00 178.44 179.01 1y8m h TYR 81 N 0.57 0.04 -0.07 1.13 3.20 -1.44 -2.56 116.97 117.84 1y8m h TYR 81 Ca 0.34 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 1y8m h TYR 81 Cb 0.36 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1y8m h TYR 81 CO -0.12 0.44 -0.23 1.88 -1.64 0.00 0.00 178.16 178.49 1y8m h TYR 82 N -0.37 0.13 -0.46 -3.82 -1.99 -0.77 -2.49 116.97 107.20 1y8m h TYR 82 Ca 0.00 -0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.60 1y8m h TYR 82 Cb 0.43 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 1y8m h TYR 82 CO 0.07 0.35 -0.17 -0.07 -0.00 0.00 0.00 178.16 178.33 1y8m h LEU 83 N 0.11 0.89 -0.66 3.88 3.38 0.87 0.88 115.31 124.65 1y8m h LEU 83 Ca 0.02 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1y8m h LEU 83 Cb 0.47 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1y8m h LEU 83 CO 0.03 1.05 0.43 0.74 0.09 0.00 0.00 178.44 180.78 1y8m h THR 84 N 0.78 1.12 0.09 0.22 2.02 -1.02 0.58 112.91 116.70 1y8m h THR 84 Ca 0.11 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1y8m h THR 84 Cb 0.71 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1y8m h THR 84 CO 0.05 0.16 -0.04 0.40 0.37 0.00 0.00 175.52 176.45 1y8m h ILE 85 N 0.85 1.15 -0.09 3.11 2.04 -1.32 -0.41 117.51 122.84 1y8m h ILE 85 Ca 0.26 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1y8m h ILE 85 Cb -0.03 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1y8m h ILE 85 CO -0.08 0.28 0.07 1.23 0.00 0.00 0.00 178.15 179.64 1y8m h GLY 86 N -0.69 0.00 1.39 5.37 0.00 -0.68 -1.79 103.07 106.66 1y8m h GLY 86 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.03 1y8m h GLY 86 CO 0.02 0.00 -1.25 0.00 0.00 0.00 0.00 176.54 175.31 1y8m h TYR 88 N 0.19 0.00 0.00 0.00 3.20 -0.16 0.64 116.97 120.85 1y8m h TYR 88 Ca -0.17 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.58 1y8m h TYR 88 Cb 1.94 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.19 1y8m h TYR 88 CO 0.10 0.00 -0.54 0.87 -1.64 0.00 0.00 178.16 176.95 1y8m h LYS 89 N 0.00 0.00 -0.62 1.82 1.57 -1.55 -2.99 116.57 114.80 1y8m h LYS 89 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1y8m h LYS 89 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1y8m h LYS 89 CO -0.00 0.54 0.00 1.28 -0.57 0.00 0.00 179.45 180.70 1y8m n LEU 90 N -3.29 5.22 -1.59 2.94 4.77 0.11 -4.91 117.00 120.25 1y8m n LEU 90 Ca 0.01 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 1y8m n LEU 90 Cb 0.72 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1y8m n LEU 90 CO 0.41 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1y8m n GLY 91 N 0.90 -0.24 1.79 -0.72 0.00 -0.52 -4.65 105.19 101.74 1y8m n GLY 91 Ca 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.54 1.54 0.14 1.61 1.02 -1.14 -4.60 120.64 117.67 1y8m n GLU 92 Ca 0.00 -0.66 0.02 0.00 -0.02 0.00 0.00 57.16 56.50 1y8m n GLU 92 Cb 0.24 -1.51 0.09 0.00 -0.02 0.00 0.00 31.44 30.24 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 1.76 0.12 -0.07 -0.32 4.01 -1.26 0.15 117.16 121.55 1y8m n TYR 93 Ca 0.22 0.06 -0.03 0.00 -0.16 0.00 0.00 57.90 57.99 1y8m n TYR 93 Cb 0.67 -0.19 0.19 0.00 -0.31 0.00 0.00 39.34 39.71 1y8m n TYR 93 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1y8m h SER 94 N 0.00 0.67 0.04 7.72 0.87 -1.97 -0.86 113.55 120.02 1y8m h SER 94 Ca 0.00 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.26 1y8m h SER 94 Cb 1.18 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.97 1y8m h SER 94 CO 0.00 0.76 -0.58 0.24 -0.53 0.00 0.00 176.83 176.73 1y8m h MET 95 N 0.65 0.32 -0.56 2.24 2.86 -0.69 -2.91 114.93 116.84 1y8m h MET 95 Ca 0.12 -0.40 0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1y8m h MET 95 Cb 0.46 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.18 1y8m h MET 95 CO 0.02 1.11 0.21 0.00 1.06 0.00 0.00 176.91 179.31 1y8m h ALA 96 N 0.23 0.70 -0.10 6.32 0.00 -1.56 -1.18 119.26 123.66 1y8m h ALA 96 Ca -0.08 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1y8m h ALA 96 Cb 1.34 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1y8m h ALA 96 CO 0.11 -0.18 -0.00 -0.22 0.00 0.00 0.00 179.25 178.95 1y8m h LYS 97 N 0.40 0.03 -0.07 0.00 3.64 -1.21 0.13 116.57 119.50 1y8m h LYS 97 Ca 0.27 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1y8m h LYS 97 Cb 0.30 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1y8m h LYS 97 CO -0.26 0.02 0.02 0.00 -2.27 0.00 0.00 179.45 176.96 1y8m h ARG 98 N 0.03 0.10 -0.20 1.90 3.08 -1.20 -1.75 114.38 116.34 1y8m h ARG 98 Ca 0.05 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1y8m h ARG 98 Cb 0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1y8m h ARG 98 CO -0.08 0.26 -0.25 1.88 -1.07 0.00 0.00 179.97 180.70 1y8m h TYR 99 N -0.07 0.64 -0.58 3.04 0.05 -1.17 -2.91 116.97 115.97 1y8m h TYR 99 Ca 0.02 -0.20 -0.03 0.00 0.05 0.00 0.00 58.73 58.56 1y8m h TYR 99 Cb 0.19 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 1y8m h TYR 99 CO -0.01 0.90 0.22 -0.24 -1.05 0.00 0.00 178.16 177.98 1y8m h VAL 100 N 0.20 1.21 -0.21 -2.88 3.04 -0.77 -2.26 116.25 114.58 1y8m h VAL 100 Ca 0.03 -0.67 -0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1y8m h VAL 100 Cb 0.81 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 1y8m h VAL 100 CO 0.06 0.26 0.12 -0.78 -1.01 0.00 0.00 177.57 176.22 1y8m h ASP 101 N 0.83 0.25 -0.16 3.17 3.58 -1.28 0.13 116.42 122.95 1y8m h ASP 101 Ca 0.20 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1y8m h ASP 101 Cb 0.17 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1y8m h ASP 101 CO -0.02 0.24 0.10 0.74 -2.88 0.00 0.00 179.24 177.42 1y8m h THR 102 N 0.25 1.04 -0.68 2.25 2.02 -1.28 0.12 112.91 116.63 1y8m h THR 102 Ca 0.07 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1y8m h THR 102 Cb 0.03 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1y8m h THR 102 CO -0.01 0.04 0.30 0.25 0.37 0.00 0.00 175.52 176.46 1y8m h LEU 103 N 0.21 0.91 -1.04 2.58 5.85 -1.24 -2.36 115.31 120.23 1y8m h LEU 103 Ca 0.06 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1y8m h LEU 103 Cb -0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1y8m h LEU 103 CO -0.01 0.82 -0.47 0.15 -0.34 0.00 0.00 178.44 178.58 1y8m h PHE 104 N 0.95 0.02 -0.55 1.25 3.57 -0.67 -2.98 116.94 118.53 1y8m h PHE 104 Ca 0.23 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1y8m h PHE 104 Cb 0.17 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1y8m h PHE 104 CO 0.01 0.49 0.23 1.49 -2.23 0.00 0.00 178.31 178.30 1y8m h GLU 105 N 0.01 0.81 -3.84 1.11 4.22 -0.24 -3.35 114.58 113.31 1y8m h GLU 105 Ca -0.00 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1y8m h GLU 105 Cb 0.84 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1y8m h GLU 105 CO 0.06 0.70 0.51 1.58 -2.18 0.00 0.00 179.01 179.68 1y8m n HIS 106 N -4.52 0.00 -1.81 0.92 -0.00 -1.05 -4.79 115.22 103.96 1y8m n HIS 106 Ca 0.03 -0.23 0.00 0.00 0.46 0.00 0.00 57.72 57.97 1y8m n HIS 106 Cb 0.15 -0.42 0.00 0.00 -0.12 0.00 0.00 29.99 29.60 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 3.64 0.00 0.00 1.57 2.13 -1.26 -4.86 120.64 121.86 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 0.54 -0.41 0.00 0.00 177.13 177.26 1y8m n ARG 108 N 0.00 0.00 0.01 5.31 1.74 -1.26 -4.88 116.66 117.58 1y8m n ARG 108 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1y8m n ARG 108 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1y8m n ARG 108 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1y8m n ASN 109 N -3.35 -0.14 -2.80 0.55 0.23 -1.26 -5.00 115.26 103.48 1y8m n ASN 109 Ca 0.00 0.03 -0.03 0.00 -0.53 0.00 0.00 54.58 54.05 1y8m n ASN 109 Cb 0.00 0.52 -0.03 0.00 -2.08 0.00 0.00 39.78 38.19 1y8m n ASN 109 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1y8m n ASN 110 N -2.44 -3.66 -0.22 0.53 3.02 -1.26 -3.87 115.26 107.35 1y8m n ASN 110 Ca 0.00 1.18 0.30 0.00 -0.03 0.00 0.00 54.58 56.04 1y8m n ASN 110 Cb 0.00 -3.87 0.73 0.00 -0.61 0.00 0.00 39.78 36.03 1y8m n ASN 110 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1y8m h LYS 111 N 4.33 0.01 0.00 3.52 1.57 -1.99 0.41 116.57 124.42 1y8m h LYS 111 Ca -0.31 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 1y8m h LYS 111 Cb 0.76 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1y8m h LYS 111 CO 0.01 0.01 -0.46 1.96 -0.57 0.00 0.00 179.45 180.40 1y8m h GLN 112 N 0.01 0.00 0.01 3.15 4.20 -1.99 -1.02 115.11 119.47 1y8m h GLN 112 Ca 0.47 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.09 1y8m h GLN 112 Cb 1.87 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.66 1y8m h GLN 112 CO -0.01 0.46 -0.36 0.28 -0.67 0.00 0.00 178.83 178.53 1y8m h VAL 113 N 0.00 1.54 -0.64 -0.54 2.07 -0.41 0.13 116.25 118.40 1y8m h VAL 113 Ca -0.00 -2.07 0.07 0.00 0.82 0.00 0.00 66.70 65.51 1y8m h VAL 113 Cb 0.85 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 33.41 1y8m h VAL 113 CO 0.06 0.57 0.43 1.23 0.02 0.00 0.00 177.57 179.88 1y8m h GLY 114 N -0.45 0.79 1.01 2.17 0.00 -1.19 0.22 103.07 105.63 1y8m h GLY 114 Ca -0.05 -0.25 -0.25 0.00 0.00 0.00 0.00 47.33 46.77 1y8m h GLY 114 CO 0.07 0.18 -1.08 0.00 0.00 0.00 0.00 176.54 175.71 1y8m h ALA 115 N 1.65 -0.06 -0.25 3.60 0.00 -1.15 -2.72 119.26 120.33 1y8m h ALA 115 Ca 0.28 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1y8m h ALA 115 Cb 0.30 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1y8m h ALA 115 CO -0.09 0.55 0.16 1.25 0.00 0.00 0.00 179.25 181.12 1y8m h LEU 116 N -0.00 0.30 -1.49 0.00 5.85 0.07 -1.60 115.31 118.44 1y8m h LEU 116 Ca -0.18 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1y8m h LEU 116 Cb 1.81 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1y8m h LEU 116 CO 0.21 0.24 0.05 0.07 -0.34 0.00 0.00 178.44 178.66 1y8m h LYS 117 N 0.33 0.39 -0.50 1.25 2.10 -1.08 -1.73 116.57 117.32 1y8m h LYS 117 Ca 0.09 -0.06 0.11 0.00 -2.00 0.00 0.00 60.65 58.80 1y8m h LYS 117 Cb -0.01 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 31.22 1y8m h LYS 117 CO -0.02 0.37 0.35 0.77 -2.00 0.00 0.00 179.45 178.92 1y8m h SER 118 N 0.38 0.15 -0.13 7.07 0.02 -0.95 0.63 113.55 120.72 1y8m h SER 118 Ca 0.09 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.82 1y8m h SER 118 Cb 0.18 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.70 1y8m h SER 118 CO -0.00 0.09 -0.79 0.24 -1.14 0.00 0.00 176.83 175.23 1y8m h MET 119 N 0.17 0.77 0.00 3.45 2.86 -1.17 -0.56 114.93 120.45 1y8m h MET 119 Ca 0.24 -0.65 -0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1y8m h MET 119 Cb 0.70 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1y8m h MET 119 CO -0.04 1.25 -0.00 0.28 1.06 0.00 0.00 176.91 179.47 1y8m h VAL 120 N 0.50 1.28 -0.10 -2.22 2.07 -0.83 -1.50 116.25 115.44 1y8m h VAL 120 Ca -0.06 -0.82 -0.13 0.00 0.82 0.00 0.00 66.70 66.51 1y8m h VAL 120 Cb 1.42 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1y8m h VAL 120 CO 0.16 0.21 -0.52 -0.08 0.02 0.00 0.00 177.57 177.36 1y8m h GLU 121 N -0.35 0.28 -0.21 1.57 4.81 0.08 -1.45 114.58 119.31 1y8m h GLU 121 Ca -0.00 -0.17 -0.18 0.00 -0.13 0.00 0.00 59.36 58.88 1y8m h GLU 121 Cb 0.35 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1y8m h GLU 121 CO 0.00 0.74 -0.60 -0.44 -0.73 0.00 0.00 179.01 177.97 1y8m h ASP 122 N 0.22 0.79 0.46 1.04 5.19 -1.08 -1.96 116.42 121.07 1y8m h ASP 122 Ca 0.01 -0.45 -0.22 0.00 -0.62 0.00 0.00 57.03 55.75 1y8m h ASP 122 Cb 1.00 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 1y8m h ASP 122 CO 0.08 1.21 -0.94 0.50 -3.12 0.00 0.00 179.24 176.97 1y8m h LYS 123 N 0.52 0.31 0.00 3.56 1.63 -1.20 -2.93 116.57 118.46 1y8m h LYS 123 Ca -0.00 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.43 1y8m h LYS 123 Cb 1.19 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1y8m h LYS 123 CO 0.12 1.05 -0.06 0.82 -3.45 0.00 0.00 179.45 177.93 1y8m h ILE 124 N 0.17 0.14 -0.21 2.00 2.04 -1.26 -2.54 117.51 117.85 1y8m h ILE 124 Ca -0.07 -0.84 -0.13 0.00 1.00 0.00 0.00 64.86 64.82 1y8m h ILE 124 Cb 1.58 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 1y8m h ILE 124 CO 0.15 0.06 -0.43 1.56 0.00 0.00 0.00 178.15 179.50 1y8m h GLN 125 N 0.00 0.50 -0.08 2.37 1.08 -1.17 -2.70 115.11 115.10 1y8m h GLN 125 Ca -0.00 -0.26 -0.10 0.00 -1.45 0.00 0.00 58.65 56.83 1y8m h GLN 125 Cb 0.73 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 1y8m h GLN 125 CO 0.01 0.84 -0.42 0.87 -0.95 0.00 0.00 178.83 179.17 1y8m h LYS 126 N 0.41 0.19 -0.39 1.46 1.57 -1.34 -2.26 116.57 116.22 1y8m h LYS 126 Ca 0.03 -0.09 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 1y8m h LYS 126 Cb 0.92 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1y8m h LYS 126 CO 0.08 0.58 0.46 0.93 -0.57 0.00 0.00 179.45 180.93 1y8m h GLU 127 N 0.16 0.00 -0.89 3.15 5.08 -1.35 0.50 114.58 121.23 1y8m h GLU 127 Ca 0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1y8m h GLU 127 Cb 0.82 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.98 1y8m h GLU 127 CO 0.06 0.00 0.19 0.25 -1.00 0.00 0.00 179.01 178.52 1y8m n THR 128 N -3.61 1.92 -3.74 1.13 -2.24 -0.85 -4.80 114.28 102.09 1y8m n THR 128 Ca 0.07 -0.94 -0.13 0.00 -2.27 0.00 0.00 64.05 60.78 1y8m n THR 128 Cb 0.63 -0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.17 1y8m n THR 128 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1y8m s LEU 129 N -1.72 0.58 0.00 3.22 1.43 0.17 -5.00 118.68 117.38 1y8m s LEU 129 Ca 0.32 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1y8m s LEU 129 Cb 0.25 0.57 0.00 0.00 0.03 0.00 0.00 46.19 47.05 1y8m s LEU 129 CO 0.08 -0.15 0.25 1.17 0.23 0.00 0.00 176.35 177.92 1y8m n LYS 130 N 4.16 0.00 -1.78 1.70 4.81 -1.26 -4.98 118.16 120.80 1y8m n LYS 130 Ca -0.25 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.79 1y8m n LYS 130 Cb 0.53 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.54 1y8m n LYS 130 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y8m n GLY 131 N 0.00 2.62 3.74 3.14 0.00 -1.26 -4.93 105.19 108.50 1y8m n GLY 131 Ca 0.00 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 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 5.90 3.82 -0.45 1.61 1.01 -1.26 -4.97 120.40 126.05 1y8m s VAL 132 Ca 0.57 1.57 0.02 0.00 0.00 0.00 0.00 61.98 64.15 1y8m s VAL 132 Cb 0.09 -4.00 0.21 0.00 0.00 0.00 0.00 36.38 32.67 1y8m s VAL 132 CO 0.07 0.27 0.89 0.55 0.00 0.00 0.00 175.10 176.88 1y8m n VAL 133 N 2.34 0.00 0.72 2.92 3.14 -1.26 -4.99 118.33 121.21 1y8m n VAL 133 Ca 0.03 -0.79 -0.01 0.00 -2.96 0.00 0.00 64.34 60.61 1y8m n VAL 133 Cb 0.46 0.94 0.04 0.00 -1.06 0.00 0.00 33.84 34.22 1y8m n VAL 133 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1y8m n VAL 134 N 2.60 0.71 -1.73 1.55 0.24 -1.26 -4.91 118.33 115.54 1y8m n VAL 134 Ca 0.14 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.34 61.81 1y8m n VAL 134 Cb 0.60 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 1y8m n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1y8m n ALA 135 N 0.15 1.68 -1.75 2.33 0.00 -1.26 -4.85 120.51 116.82 1y8m n ALA 135 Ca 0.05 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1y8m n ALA 135 Cb 0.48 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 0.67 0.76 0.66 0.00 0.00 -1.26 -4.97 105.19 101.04 1y8m n GLY 136 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1y8m n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8m n GLY 137 N 0.00 3.19 3.62 -0.02 0.00 -1.26 -5.03 105.19 105.69 1y8m n GLY 137 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1y8m n GLY 137 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1y8m n VAL 138 N -1.08 2.70 -3.61 1.61 0.24 -1.26 -4.99 118.33 111.94 1y8m n VAL 138 Ca 0.00 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.77 1y8m n VAL 138 Cb 0.00 -1.21 -0.06 0.00 -1.47 0.00 0.00 33.84 31.10 1y8m n VAL 138 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1y8m s HIS 139 N -1.32 -0.72 0.00 6.34 2.46 -1.26 -5.03 115.29 115.76 1y8m s HIS 139 Ca 0.65 1.39 0.00 0.00 0.47 0.00 0.00 55.06 57.58 1y8m s HIS 139 Cb -0.52 0.43 0.00 0.00 -0.13 0.00 0.00 32.58 32.36 1y8m s HIS 139 CO 0.55 -0.36 0.00 -2.39 -2.47 0.00 0.00 174.74 170.07 1y8m n HIS 140 N 4.10 0.00 -1.03 3.88 1.44 -1.26 -4.99 115.22 117.35 1y8m n HIS 140 Ca -0.17 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.20 1y8m n HIS 140 Cb 0.57 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.64 1y8m n HIS 140 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1y8m n HIS 141 N 0.00 1.83 0.00 -1.40 -0.00 -1.26 -4.59 115.22 109.81 1y8m n HIS 141 Ca 0.00 -2.06 0.00 0.00 -0.00 0.00 0.00 57.72 55.66 1y8m n HIS 141 Cb 0.00 -1.82 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 1y8m n HIS 141 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1y8m n HIS 142 N 5.67 0.00 0.00 -1.40 -0.00 -1.26 -4.91 115.22 113.32 1y8m n HIS 142 Ca 0.49 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.67 1y8m n HIS 142 Cb 0.27 -0.22 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 1y8m n HIS 142 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1y8m n HIS 143 N -1.32 0.00 -0.32 1.57 -0.00 -1.26 -5.33 115.22 108.56 1y8m n HIS 143 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1y8m n HIS 143 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1y8m n HIS 143 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92