#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 0.01 2.03 5.66 -1.26 -5.04 114.28 115.69 1y8m n THR 2 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1y8m n THR 2 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1y8m n THR 2 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1y8m h LYS 3 N 0.00 -0.04 -7.27 1.09 1.57 -2.08 -3.43 116.57 106.42 1y8m h LYS 3 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1y8m h LYS 3 Cb 0.00 0.01 0.15 0.00 0.08 0.00 0.00 32.23 32.47 1y8m h LYS 3 CO 0.00 -0.02 0.31 0.54 -0.57 0.00 0.00 179.45 179.70 1y8m s VAL 4 N -2.95 2.84 0.37 0.50 0.11 -1.26 -4.95 120.40 115.06 1y8m s VAL 4 Ca -0.01 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1y8m s VAL 4 Cb 0.00 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 32.19 1y8m s VAL 4 CO 0.02 -0.33 0.00 0.47 -3.33 0.00 0.00 175.10 171.93 1y8m n ASP 5 N -3.50 -2.12 -4.55 3.54 8.00 -1.26 -4.50 116.55 112.16 1y8m n ASP 5 Ca 0.11 0.68 -0.37 0.00 0.71 0.00 0.00 54.79 55.91 1y8m n ASP 5 Cb 0.52 2.09 -0.03 0.00 -0.02 0.00 0.00 41.12 43.68 1y8m n ASP 5 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1y8m s PHE 6 N -2.00 1.96 0.54 1.24 0.08 -1.26 -4.74 117.98 113.80 1y8m s PHE 6 Ca 0.00 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.38 1y8m s PHE 6 Cb 0.00 -4.30 0.00 0.00 -0.57 0.00 0.00 43.02 38.15 1y8m s PHE 6 CO 0.00 -2.10 0.00 0.91 -0.10 0.00 0.00 175.22 173.93 1y8m n TRP 7 N 11.58 -4.04 -0.51 0.36 8.01 -1.26 -4.86 117.44 126.72 1y8m n TRP 7 Ca 0.21 2.18 -0.29 0.00 -1.31 0.00 0.00 57.50 58.28 1y8m n TRP 7 Cb 0.50 -3.34 0.24 0.00 -2.01 0.00 0.00 31.31 26.70 1y8m n TRP 7 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 1y8m n PRO 8 N -2.19 -2.44 -2.84 -0.99 -0.04 -1.26 -5.00 135.00 120.23 1y8m n PRO 8 Ca 0.00 -0.69 -0.24 0.00 -0.04 0.00 0.00 63.50 62.53 1y8m n PRO 8 Cb 0.34 -1.99 0.01 0.00 -0.04 0.00 0.00 33.50 31.83 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 -2.32 4.11 0.28 0.52 -4.23 -1.26 -4.98 115.64 107.76 1y8m s THR 9 Ca 0.64 -0.31 0.12 0.00 -1.18 0.00 0.00 61.69 60.97 1y8m s THR 9 Cb -0.21 -3.54 0.03 0.00 1.34 0.00 0.00 72.50 70.12 1y8m s THR 9 CO 0.65 -0.44 1.69 0.25 -0.54 0.00 0.00 174.62 176.23 1y8m h LEU 10 N 0.28 0.00 -1.44 4.79 5.85 -1.98 -2.58 115.31 120.23 1y8m h LEU 10 Ca -0.46 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 1y8m h LEU 10 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1y8m h LEU 10 CO 0.59 0.52 -0.18 0.50 -0.34 0.00 0.00 178.44 179.53 1y8m h LYS 11 N 0.00 0.14 0.00 1.25 3.64 -2.01 -1.07 116.57 118.52 1y8m h LYS 11 Ca -0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1y8m h LYS 11 Cb 0.95 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1y8m h LYS 11 CO 0.07 0.33 -0.01 0.22 -2.27 0.00 0.00 179.45 177.79 1y8m h ASP 12 N 0.14 0.00 0.01 4.20 3.58 -1.85 -1.32 116.42 121.18 1y8m h ASP 12 Ca 0.03 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 1y8m h ASP 12 Cb 0.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1y8m h ASP 12 CO 0.03 0.01 -0.27 0.00 -2.88 0.00 0.00 179.24 176.12 1y8m h ALA 13 N 1.99 1.14 0.00 -0.78 0.00 -1.29 -2.39 119.26 117.94 1y8m h ALA 13 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1y8m h ALA 13 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1y8m h ALA 13 CO 0.00 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.45 1y8m n TYR 14 N -4.12 0.00 -3.66 0.00 4.01 -0.50 -4.58 117.16 108.32 1y8m n TYR 14 Ca -0.01 -0.16 -0.39 0.00 -0.16 0.00 0.00 57.90 57.18 1y8m n TYR 14 Cb 0.41 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 39.20 1y8m n TYR 14 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1y8m s GLU 15 N -0.43 2.38 0.58 -0.72 2.12 -0.90 -5.09 118.70 116.64 1y8m s GLU 15 Ca 0.00 -1.63 -0.09 0.00 0.36 0.00 0.00 54.97 53.60 1y8m s GLU 15 Cb 0.00 -3.72 0.15 0.00 0.26 0.00 0.00 34.13 30.81 1y8m s GLU 15 CO 0.00 -1.03 0.33 -2.30 -0.54 0.00 0.00 175.26 171.72 1y8m n PRO 16 N 4.80 -2.76 -3.84 4.30 -0.02 -1.26 -4.88 135.00 131.35 1y8m n PRO 16 Ca -0.07 -0.55 -0.10 0.00 -2.02 0.00 0.00 63.50 60.75 1y8m n PRO 16 Cb 0.42 -0.76 -0.08 0.00 -0.02 0.00 0.00 33.50 33.06 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 1.34 0.36 2.45 1.43 -1.26 -5.02 118.68 117.98 1y8m s LEU 17 Ca 0.25 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1y8m s LEU 17 Cb -0.04 1.04 -0.05 0.00 0.03 0.00 0.00 46.19 47.17 1y8m s LEU 17 CO 0.21 -0.65 0.63 -0.31 0.23 0.00 0.00 176.35 176.46 1y8m s TYR 18 N -3.24 3.50 0.60 0.29 2.02 -1.26 -4.96 117.35 114.29 1y8m s TYR 18 Ca 0.00 0.68 0.32 0.00 -0.37 0.00 0.00 57.07 57.70 1y8m s TYR 18 Cb 0.02 -2.15 1.91 0.00 -0.40 0.00 0.00 41.96 41.33 1y8m s TYR 18 CO -0.08 0.03 2.27 -1.00 -1.57 0.00 0.00 175.55 175.20 1y8m h PRO 19 N 1.13 0.00 0.05 -1.71 0.13 -2.02 -2.76 132.00 126.82 1y8m h PRO 19 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1y8m h PRO 19 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1y8m h PRO 19 CO 0.64 0.00 -0.02 1.96 -0.23 0.00 0.00 178.00 180.35 1y8m h GLN 20 N 0.00 -0.06 -0.93 0.86 4.20 -1.99 -2.68 115.11 114.51 1y8m h GLN 20 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.86 1y8m h GLN 20 Cb 0.02 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.73 1y8m h GLN 20 CO -0.00 0.55 0.59 1.96 -0.67 0.00 0.00 178.83 181.26 1y8m h GLN 21 N -0.76 0.75 0.00 1.46 1.08 -1.89 0.43 115.11 116.18 1y8m h GLN 21 Ca -0.01 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1y8m h GLN 21 Cb 0.64 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1y8m h GLN 21 CO 0.01 0.49 -0.29 1.25 -0.95 0.00 0.00 178.83 179.35 1y8m h LEU 22 N 0.77 0.00 -0.19 1.46 5.85 -1.53 -2.81 115.31 118.87 1y8m h LEU 22 Ca 0.47 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.97 1y8m h LEU 22 Cb 0.68 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1y8m h LEU 22 CO -0.23 0.29 -0.94 -0.08 -0.34 0.00 0.00 178.44 177.14 1y8m h GLU 23 N 0.00 0.31 -0.13 1.25 4.81 0.19 -2.90 114.58 118.11 1y8m h GLU 23 Ca -0.00 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1y8m h GLU 23 Cb 0.68 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 1y8m h GLU 23 CO 0.04 1.05 -0.05 0.82 -0.73 0.00 0.00 179.01 180.14 1y8m h ILE 24 N 0.17 0.83 0.00 2.32 5.03 -1.07 0.67 117.51 125.46 1y8m h ILE 24 Ca -0.07 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.65 1y8m h ILE 24 Cb 1.58 0.83 -0.00 0.00 -3.03 0.00 0.00 36.82 36.19 1y8m h ILE 24 CO 0.15 0.00 -0.10 -0.07 -0.68 0.00 0.00 178.15 177.46 1y8m h LEU 25 N -0.03 0.00 0.03 1.44 3.38 -1.57 -1.85 115.31 116.71 1y8m h LEU 25 Ca 0.07 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 1y8m h LEU 25 Cb 0.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.90 1y8m h LEU 25 CO -0.15 0.10 -1.15 -0.09 0.09 0.00 0.00 178.44 177.23 1y8m h ARG 26 N 0.00 0.53 -0.53 1.13 2.43 -0.78 -2.56 114.38 114.59 1y8m h ARG 26 Ca -0.00 -0.68 0.01 0.00 -0.81 0.00 0.00 59.98 58.49 1y8m h ARG 26 Cb 0.19 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1y8m h ARG 26 CO 0.01 1.29 0.35 0.37 -1.51 0.00 0.00 179.97 180.48 1y8m h GLN 27 N 0.25 0.70 -0.19 0.20 5.75 0.10 0.46 115.11 122.39 1y8m h GLN 27 Ca -0.15 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.21 1y8m h GLN 27 Cb 1.82 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 30.20 1y8m h GLN 27 CO 0.21 0.46 -0.33 1.96 -2.65 0.00 0.00 178.83 178.49 1y8m h GLN 28 N 0.72 0.38 0.05 1.69 7.50 -1.43 0.47 115.11 124.49 1y8m h GLN 28 Ca 0.20 -0.16 -0.00 0.00 0.50 0.00 0.00 58.65 59.18 1y8m h GLN 28 Cb -0.08 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.43 1y8m h GLN 28 CO -0.04 0.67 -0.03 0.28 -1.50 0.00 0.00 178.83 178.21 1y8m h VAL 29 N 0.33 1.29 -0.36 -0.54 2.07 -0.93 -3.11 116.25 115.00 1y8m h VAL 29 Ca 0.04 -1.49 -0.08 0.00 0.82 0.00 0.00 66.70 65.99 1y8m h VAL 29 Cb 0.74 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1y8m h VAL 29 CO 0.06 0.35 -0.08 0.58 0.02 0.00 0.00 177.57 178.50 1y8m h VAL 30 N -0.78 1.28 -0.77 2.57 2.07 -0.09 0.21 116.25 120.74 1y8m h VAL 30 Ca -0.01 -1.14 0.20 0.00 0.82 0.00 0.00 66.70 66.57 1y8m h VAL 30 Cb 0.64 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1y8m h VAL 30 CO 0.01 0.37 0.54 0.77 0.02 0.00 0.00 177.57 179.28 1y8m h SER 31 N 0.48 0.16 0.95 0.57 4.64 -0.16 0.90 113.55 121.09 1y8m h SER 31 Ca 0.09 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1y8m h SER 31 Cb 0.58 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1y8m h SER 31 CO 0.03 0.07 -0.12 -0.62 -0.87 0.00 0.00 176.83 175.32 1y8m n GLU 32 N -4.39 0.04 0.00 4.77 -0.58 -1.06 -4.86 120.64 114.57 1y8m n GLU 32 Ca 0.16 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1y8m n GLU 32 Cb 0.73 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 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 1.47 1.35 0.51 0.62 0.00 0.31 -4.50 105.19 104.95 1y8m n GLY 33 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1y8m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8m n GLY 34 N 0.00 0.97 0.36 -0.02 0.00 0.70 -4.40 105.19 102.81 1y8m n GLY 34 Ca 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 45.16 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 0.99 0.00 1.61 0.11 -1.95 0.41 132.00 133.18 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 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.89 1y8m h PRO 35 CO 0.00 0.65 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 1y8m n THR 36 N -4.48 0.00 -1.44 -1.15 -2.24 -1.26 -4.81 114.28 98.90 1y8m n THR 36 Ca 0.13 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.59 1y8m n THR 36 Cb 0.18 -0.30 0.07 0.00 -2.10 0.00 0.00 70.33 68.19 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 2.36 0.67 6.98 0.00 0.13 -4.85 121.76 125.05 1y8m s ALA 37 Ca 0.07 0.33 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1y8m s ALA 37 Cb 0.03 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1y8m s ALA 37 CO 0.05 -1.56 1.15 0.25 0.00 0.00 0.00 175.76 175.65 1y8m n THR 38 N -3.14 4.05 -0.32 0.00 -2.24 -1.26 -4.82 114.28 106.55 1y8m n THR 38 Ca 0.09 -0.45 0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1y8m n THR 38 Cb 0.53 -1.32 0.19 0.00 -2.10 0.00 0.00 70.33 67.63 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 0.23 1.16 -0.06 2.28 2.04 -1.94 -0.16 117.51 121.05 1y8m h ILE 39 Ca -0.49 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 64.99 1y8m h ILE 39 Cb 1.34 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1y8m h ILE 39 CO 0.51 0.21 0.05 -0.61 0.00 0.00 0.00 178.15 178.31 1y8m h GLN 40 N 1.15 0.00 -0.07 2.37 4.15 -1.99 0.78 115.11 121.50 1y8m h GLN 40 Ca 0.36 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.73 1y8m h GLN 40 Cb 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1y8m h GLN 40 CO -0.11 0.00 -0.16 0.77 -1.93 0.00 0.00 178.83 177.40 1y8m h SER 41 N 0.00 0.26 -0.37 -0.69 0.02 -1.36 -3.01 113.55 108.40 1y8m h SER 41 Ca 0.03 -0.58 -0.11 0.00 -0.84 0.00 0.00 61.79 60.29 1y8m h SER 41 Cb 0.13 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1y8m h SER 41 CO -0.00 0.80 -0.16 0.03 -1.14 0.00 0.00 176.83 176.35 1y8m h ARG 42 N -0.26 0.84 -0.15 3.45 3.08 -1.19 -2.35 114.38 117.81 1y8m h ARG 42 Ca -0.00 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 59.78 1y8m h ARG 42 Cb 0.76 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 1y8m h ARG 42 CO 0.04 0.94 -0.28 0.35 -1.07 0.00 0.00 179.97 179.95 1y8m h PHE 43 N 0.74 -0.75 -0.63 3.04 3.04 -0.86 -0.96 116.94 120.57 1y8m h PHE 43 Ca 0.11 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 62.01 1y8m h PHE 43 Cb 0.68 0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 1y8m h PHE 43 CO 0.04 -0.36 0.04 -0.97 -2.02 0.00 0.00 178.31 175.04 1y8m h ASN 44 N -0.34 1.05 -0.79 0.41 -0.73 -1.48 -2.42 115.58 111.29 1y8m h ASN 44 Ca 0.11 -0.28 0.16 0.00 1.87 0.00 0.00 56.30 58.16 1y8m h ASN 44 Cb 0.50 -0.28 -0.05 0.00 0.27 0.00 0.00 38.32 38.75 1y8m h ASN 44 CO -0.34 1.08 0.53 0.22 -0.37 0.00 0.00 177.43 178.54 1y8m h TYR 45 N 0.99 0.49 -0.01 0.67 3.20 -0.76 0.17 116.97 121.72 1y8m h TYR 45 Ca 0.18 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.90 1y8m h TYR 45 Cb 0.52 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1y8m h TYR 45 CO 0.04 0.17 -0.74 0.00 -1.64 0.00 0.00 178.16 175.98 1y8m h ALA 46 N 1.64 0.74 -0.16 1.82 0.00 -0.71 -3.07 119.26 119.52 1y8m h ALA 46 Ca 0.39 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1y8m h ALA 46 Cb 0.93 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1y8m h ALA 46 CO -0.13 0.88 0.03 2.35 0.00 0.00 0.00 179.25 182.39 1y8m h TRP 47 N 0.05 0.27 -0.79 0.00 2.91 -0.48 -2.10 115.95 115.81 1y8m h TRP 47 Ca -0.02 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 1y8m h TRP 47 Cb 1.31 -0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 29.85 1y8m h TRP 47 CO 0.01 0.40 0.43 0.78 -1.03 0.00 0.00 178.44 179.03 1y8m h GLY 48 N 0.05 1.17 1.85 2.65 0.00 -1.50 -1.82 103.07 105.47 1y8m h GLY 48 Ca 0.05 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1y8m h GLY 48 CO 0.00 0.50 -0.21 1.41 0.00 0.00 0.00 176.54 178.24 1y8m h LEU 49 N 1.10 0.17 -0.70 3.11 3.38 -1.41 -2.44 115.31 118.52 1y8m h LEU 49 Ca 0.28 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1y8m h LEU 49 Cb 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1y8m h LEU 49 CO -0.04 0.40 -0.60 0.40 0.09 0.00 0.00 178.44 178.69 1y8m h ILE 50 N 0.17 1.40 0.00 1.22 2.04 -0.64 -2.49 117.51 119.21 1y8m h ILE 50 Ca 0.03 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.89 1y8m h ILE 50 Cb 0.48 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1y8m h ILE 50 CO 0.03 0.58 0.00 0.29 0.00 0.00 0.00 178.15 179.06 1y8m n LYS 51 N -3.86 0.21 -0.82 2.37 5.02 -0.94 -4.82 118.16 115.32 1y8m n LYS 51 Ca -0.02 0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 56.02 1y8m n LYS 51 Cb 0.61 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.28 1y8m n LYS 51 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1y8m s SER 52 N -2.76 3.09 -0.07 4.39 1.04 -0.94 -4.36 113.70 114.09 1y8m s SER 52 Ca 0.19 2.02 0.02 0.00 0.48 0.00 0.00 55.95 58.66 1y8m s SER 52 Cb 0.17 -2.51 -0.25 0.00 0.10 0.00 0.00 66.02 63.52 1y8m s SER 52 CO 0.41 -2.97 0.57 0.71 0.98 0.00 0.00 173.24 172.94 1y8m h THR 53 N -1.78 0.80 -4.06 2.02 1.35 -1.87 -3.47 112.91 105.90 1y8m h THR 53 Ca -0.45 -2.57 -0.48 0.00 -0.55 0.00 0.00 66.41 62.36 1y8m h THR 53 Cb 1.27 2.50 0.03 0.00 -1.73 0.00 0.00 68.15 70.22 1y8m h THR 53 CO 0.45 0.71 0.40 -0.62 -0.25 0.00 0.00 175.52 176.20 1y8m s ASP 54 N -6.61 6.31 0.33 5.36 -1.08 -1.26 -4.93 116.67 114.79 1y8m s ASP 54 Ca -0.13 1.98 0.25 0.00 -0.52 0.00 0.00 52.55 54.13 1y8m s ASP 54 Cb 0.07 -2.57 0.59 0.00 -1.46 0.00 0.00 42.92 39.55 1y8m s ASP 54 CO 0.81 -0.81 1.70 1.62 0.52 0.00 0.00 175.17 179.00 1y8m h VAL 55 N 1.59 0.00 -0.19 1.11 3.04 -1.97 -3.16 116.25 116.67 1y8m h VAL 55 Ca -0.49 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 64.46 1y8m h VAL 55 Cb 1.23 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 32.23 1y8m h VAL 55 CO 0.59 0.00 0.12 0.78 -1.01 0.00 0.00 177.57 178.05 1y8m h ASN 56 N 0.00 0.23 0.92 3.17 2.35 -1.97 0.06 115.58 120.34 1y8m h ASN 56 Ca 0.00 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.57 1y8m h ASN 56 Cb 0.86 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1y8m h ASN 56 CO 0.00 0.19 -0.69 0.44 -1.65 0.00 0.00 177.43 175.72 1y8m h ASP 57 N 0.24 0.00 -0.15 5.81 3.32 -1.85 -2.95 116.42 120.83 1y8m h ASP 57 Ca 0.07 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1y8m h ASP 57 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1y8m h ASP 57 CO -0.01 0.69 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.11 1y8m h GLU 58 N 0.00 0.28 0.00 3.56 4.81 -1.40 -1.94 114.58 119.88 1y8m h GLU 58 Ca -0.01 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1y8m h GLU 58 Cb 1.34 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 1y8m h GLU 58 CO 0.09 0.52 -0.14 0.07 -0.73 0.00 0.00 179.01 178.82 1y8m h ARG 59 N 0.01 0.00 -0.09 1.92 0.11 -1.05 -2.89 114.38 112.38 1y8m h ARG 59 Ca 0.04 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.95 1y8m h ARG 59 Cb 0.40 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.49 1y8m h ARG 59 CO 0.01 0.14 -0.62 1.25 0.10 0.00 0.00 179.97 180.85 1y8m h LEU 60 N 0.00 0.69 -0.90 0.08 5.85 -1.31 -3.11 115.31 116.62 1y8m h LEU 60 Ca -0.00 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1y8m h LEU 60 Cb 0.59 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1y8m h LEU 60 CO 0.02 1.26 0.58 1.23 -0.34 0.00 0.00 178.44 181.18 1y8m h GLY 61 N 0.18 1.28 0.65 3.75 0.00 -1.16 -2.49 103.07 105.28 1y8m h GLY 61 Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.82 1y8m h GLY 61 CO 0.13 0.49 -0.00 -2.08 0.00 0.00 0.00 176.54 175.07 1y8m h VAL 62 N 1.22 0.84 -0.88 4.60 2.07 -1.53 -1.11 116.25 121.46 1y8m h VAL 62 Ca 0.33 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.92 1y8m h VAL 62 Cb -0.11 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1y8m h VAL 62 CO -0.07 0.01 0.53 0.50 0.02 0.00 0.00 177.57 178.56 1y8m h LYS 63 N 0.07 0.86 -0.07 1.57 3.64 -1.38 -1.03 116.57 120.22 1y8m h LYS 63 Ca 0.11 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1y8m h LYS 63 Cb 0.14 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1y8m h LYS 63 CO -0.18 0.57 0.03 0.82 -2.27 0.00 0.00 179.45 178.41 1y8m h ILE 64 N 0.88 1.14 -0.29 2.00 2.04 -1.02 0.18 117.51 122.43 1y8m h ILE 64 Ca 0.42 -0.41 0.08 0.00 1.00 0.00 0.00 64.86 65.95 1y8m h ILE 64 Cb 0.36 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1y8m h ILE 64 CO -0.24 0.12 0.21 -0.07 0.00 0.00 0.00 178.15 178.17 1y8m h LEU 65 N -0.04 0.02 0.00 1.44 3.38 -0.42 0.15 115.31 119.85 1y8m h LEU 65 Ca 0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1y8m h LEU 65 Cb 0.16 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1y8m h LEU 65 CO -0.00 0.01 -1.00 0.74 0.09 0.00 0.00 178.44 178.29 1y8m h THR 66 N 0.02 1.00 -0.09 0.22 2.02 -0.59 -2.00 112.91 113.50 1y8m h THR 66 Ca 0.14 -2.55 -0.09 0.00 0.77 0.00 0.00 66.41 64.68 1y8m h THR 66 Cb 0.53 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1y8m h THR 66 CO -0.01 0.57 -0.31 -0.78 0.37 0.00 0.00 175.52 175.36 1y8m h ASP 67 N 0.00 0.44 0.15 4.18 3.58 0.17 -1.50 116.42 123.43 1y8m h ASP 67 Ca -0.08 -0.61 -0.01 0.00 0.42 0.00 0.00 57.03 56.75 1y8m h ASP 67 Cb 1.61 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.53 1y8m h ASP 67 CO 0.08 0.97 -0.07 0.40 -2.88 0.00 0.00 179.24 177.74 1y8m h ILE 68 N -0.08 0.97 -0.99 2.25 2.04 -0.90 -0.97 117.51 119.83 1y8m h ILE 68 Ca -0.01 -0.56 0.20 0.00 1.00 0.00 0.00 64.86 65.49 1y8m h ILE 68 Cb 0.94 1.32 -0.10 0.00 -0.74 0.00 0.00 36.82 38.24 1y8m h ILE 68 CO 0.07 0.13 0.62 0.22 0.00 0.00 0.00 178.15 179.18 1y8m h TYR 69 N -0.47 0.94 -0.04 1.37 5.03 -1.40 2.29 116.97 124.69 1y8m h TYR 69 Ca -0.02 0.03 -0.23 0.00 2.58 0.00 0.00 58.73 61.09 1y8m h TYR 69 Cb 0.37 -0.28 0.01 0.00 1.55 0.00 0.00 36.73 38.38 1y8m h TYR 69 CO 0.01 0.19 -0.91 -0.22 -1.32 0.00 0.00 178.16 175.92 1y8m h LYS 70 N 0.66 0.57 0.00 1.82 3.64 -0.96 -3.34 116.57 118.95 1y8m h LYS 70 Ca 0.57 -0.56 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 1y8m h LYS 70 Cb 1.03 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1y8m h LYS 70 CO -0.35 1.18 -1.94 0.39 -2.27 0.00 0.00 179.45 176.46 1y8m n GLU 71 N -3.82 0.66 -0.20 1.90 -0.58 -0.39 -4.96 120.64 113.24 1y8m n GLU 71 Ca -0.08 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1y8m n GLU 71 Cb 0.82 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1y8m n ALA 72 N -2.50 0.00 -3.50 0.62 0.00 0.76 -5.06 120.51 110.83 1y8m n ALA 72 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1y8m n ALA 72 Cb 0.89 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 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 -2.18 1.49 0.00 0.00 2.56 -1.26 -4.86 118.70 114.45 1y8m s GLU 73 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.97 54.14 1y8m s GLU 73 Cb 0.00 0.56 0.00 0.00 2.00 0.00 0.00 34.13 36.69 1y8m s GLU 73 CO 0.00 -0.66 0.00 0.45 -0.56 0.00 0.00 175.26 174.49 1y8m n SER 74 N -0.39 0.00 0.14 -1.70 2.88 -1.26 -3.95 113.62 109.34 1y8m n SER 74 Ca -0.09 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.52 1y8m n SER 74 Cb 0.62 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.48 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 0.00 0.10 -0.22 -1.46 1.74 -1.26 -1.95 116.66 113.60 1y8m n ARG 75 Ca 0.00 0.57 0.01 0.00 -0.77 0.00 0.00 57.85 57.66 1y8m n ARG 75 Cb 0.00 -1.95 0.12 0.00 -1.02 0.00 0.00 32.46 29.61 1y8m n ARG 75 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1y8m h ARG 76 N 0.00 0.49 -0.61 5.56 0.11 -1.90 -1.24 114.38 116.79 1y8m h ARG 76 Ca 0.00 -0.03 0.11 0.00 0.10 0.00 0.00 59.98 60.17 1y8m h ARG 76 Cb 0.27 -0.11 -0.09 0.00 1.11 0.00 0.00 29.97 31.15 1y8m h ARG 76 CO 0.00 0.32 0.15 0.00 0.10 0.00 0.00 179.97 180.54 1y8m h ARG 77 N 0.50 0.27 -0.66 0.08 3.08 -1.76 0.18 114.38 116.07 1y8m h ARG 77 Ca 0.33 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 1y8m h ARG 77 Cb 0.38 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1y8m h ARG 77 CO -0.29 0.18 0.21 0.93 -1.07 0.00 0.00 179.97 179.93 1y8m h GLU 78 N 0.28 1.01 -0.55 0.04 5.08 -1.46 -2.66 114.58 116.32 1y8m h GLU 78 Ca 0.32 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1y8m h GLU 78 Cb 0.48 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1y8m h GLU 78 CO -0.40 0.86 0.35 0.00 -1.00 0.00 0.00 179.01 178.82 1y8m h LEU 80 N 0.71 0.90 0.12 0.00 3.38 -0.77 0.46 115.31 120.10 1y8m h LEU 80 Ca 0.21 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1y8m h LEU 80 Cb -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1y8m h LEU 80 CO -0.06 0.46 -0.06 0.22 0.09 0.00 0.00 178.44 179.09 1y8m h TYR 81 N 0.95 -0.15 -0.56 1.13 3.20 -1.20 -2.82 116.97 117.51 1y8m h TYR 81 Ca 0.50 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.38 1y8m h TYR 81 Cb 0.55 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1y8m h TYR 81 CO -0.00 0.34 0.37 1.88 -1.64 0.00 0.00 178.16 179.11 1y8m h TYR 82 N -0.81 0.70 -0.66 -3.82 0.05 -0.64 -1.58 116.97 110.21 1y8m h TYR 82 Ca -0.02 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1y8m h TYR 82 Cb 0.55 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 1y8m h TYR 82 CO 0.10 0.44 0.16 -0.07 -1.05 0.00 0.00 178.16 177.74 1y8m h LEU 83 N 0.76 0.98 -1.43 3.88 3.38 -0.13 -0.28 115.31 122.45 1y8m h LEU 83 Ca 0.21 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1y8m h LEU 83 Cb -0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 1y8m h LEU 83 CO -0.05 0.94 0.45 0.74 0.09 0.00 0.00 178.44 180.61 1y8m h THR 84 N 0.99 1.02 0.07 0.22 2.02 -1.02 0.93 112.91 117.13 1y8m h THR 84 Ca 0.21 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1y8m h THR 84 Cb 0.35 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1y8m h THR 84 CO 0.00 0.13 -0.03 0.40 0.37 0.00 0.00 175.52 176.38 1y8m h ILE 85 N 0.70 1.17 0.00 3.11 1.08 -1.12 0.29 117.51 122.73 1y8m h ILE 85 Ca 0.29 -1.49 -0.03 0.00 -0.39 0.00 0.00 64.86 63.24 1y8m h ILE 85 Cb 0.25 2.04 -0.00 0.00 -3.07 0.00 0.00 36.82 36.04 1y8m h ILE 85 CO -0.09 0.33 -0.16 1.23 -0.69 0.00 0.00 178.15 178.77 1y8m h GLY 86 N -0.84 0.00 0.92 5.37 0.00 -0.75 -2.60 103.07 105.16 1y8m h GLY 86 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.11 1y8m h GLY 86 CO 0.02 0.00 -0.87 0.00 0.00 0.00 0.00 176.54 175.69 1y8m h TYR 88 N -0.02 0.00 0.00 0.00 3.20 -0.54 0.23 116.97 119.84 1y8m h TYR 88 Ca -0.13 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.71 1y8m h TYR 88 Cb 1.59 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.86 1y8m h TYR 88 CO 0.15 0.00 -0.16 0.87 -1.64 0.00 0.00 178.16 177.38 1y8m h LYS 89 N 0.00 0.00 -0.57 1.82 1.57 -1.56 -2.98 116.57 114.84 1y8m h LYS 89 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1y8m h LYS 89 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1y8m h LYS 89 CO -0.00 0.16 0.00 1.28 -0.57 0.00 0.00 179.45 180.31 1y8m n LEU 90 N -3.16 5.24 -1.63 2.94 4.77 0.75 -4.91 117.00 121.00 1y8m n LEU 90 Ca 0.03 -2.77 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 1y8m n LEU 90 Cb 0.55 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1y8m n LEU 90 CO 0.35 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1y8m n GLY 91 N 0.69 -0.24 1.90 -0.72 0.00 -0.91 -4.66 105.19 101.24 1y8m n GLY 91 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.60 1.70 0.11 1.61 1.02 -1.18 -4.61 120.64 117.69 1y8m n GLU 92 Ca 0.00 -1.05 0.02 0.00 -0.02 0.00 0.00 57.16 56.11 1y8m n GLU 92 Cb 0.24 -1.61 0.09 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.37 0.11 -0.18 -0.32 4.01 -1.26 0.44 117.16 121.33 1y8m n TYR 93 Ca 0.27 0.06 -0.09 0.00 -0.16 0.00 0.00 57.90 57.97 1y8m n TYR 93 Cb 0.64 -0.20 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 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 1.01 0.02 7.72 4.64 -1.97 0.25 113.55 125.22 1y8m h SER 94 Ca 0.00 -0.33 -0.08 0.00 -0.47 0.00 0.00 61.79 60.91 1y8m h SER 94 Cb 1.06 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1y8m h SER 94 CO 0.00 1.11 -0.34 0.24 -0.87 0.00 0.00 176.83 176.97 1y8m h MET 95 N 0.90 0.19 -0.46 4.77 2.86 -0.41 -2.68 114.93 120.11 1y8m h MET 95 Ca 0.14 -0.24 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1y8m h MET 95 Cb 0.66 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 1y8m h MET 95 CO 0.05 1.00 0.25 0.00 1.06 0.00 0.00 176.91 179.26 1y8m h ALA 96 N 0.21 0.58 -0.28 6.32 0.00 -1.49 -1.79 119.26 122.81 1y8m h ALA 96 Ca -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1y8m h ALA 96 Cb 1.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1y8m h ALA 96 CO 0.07 -0.09 0.17 -0.22 0.00 0.00 0.00 179.25 179.17 1y8m h LYS 97 N 0.49 0.38 -0.50 0.00 3.11 -0.58 0.58 116.57 120.05 1y8m h LYS 97 Ca 0.19 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.97 1y8m h LYS 97 Cb 0.07 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 1y8m h LYS 97 CO -0.12 0.29 0.21 0.00 -2.81 0.00 0.00 179.45 177.03 1y8m h ARG 98 N 0.35 0.75 -0.01 1.90 3.08 -1.14 -1.68 114.38 117.63 1y8m h ARG 98 Ca 0.10 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1y8m h ARG 98 Cb 0.01 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1y8m h ARG 98 CO -0.02 0.65 -0.04 1.88 -1.07 0.00 0.00 179.97 181.37 1y8m h TYR 99 N 0.67 0.06 -0.66 3.04 0.05 -1.21 -2.78 116.97 116.14 1y8m h TYR 99 Ca 0.17 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.98 1y8m h TYR 99 Cb 0.18 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 1y8m h TYR 99 CO 0.00 0.73 0.44 -0.24 -1.05 0.00 0.00 178.16 178.04 1y8m h VAL 100 N -0.63 1.02 0.04 -2.88 3.04 -0.92 -1.47 116.25 114.45 1y8m h VAL 100 Ca -0.00 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1y8m h VAL 100 Cb 0.74 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1y8m h VAL 100 CO 0.01 0.13 -0.02 -0.78 -1.01 0.00 0.00 177.57 175.90 1y8m h ASP 101 N 0.69 -0.04 -0.24 3.17 3.58 -1.31 0.72 116.42 122.98 1y8m h ASP 101 Ca 0.28 -0.14 0.04 0.00 0.42 0.00 0.00 57.03 57.63 1y8m h ASP 101 Cb 0.23 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 1y8m h ASP 101 CO -0.09 0.12 0.00 0.74 -2.88 0.00 0.00 179.24 177.13 1y8m h THR 102 N -0.19 0.83 -0.71 2.25 2.02 -1.07 0.61 112.91 116.65 1y8m h THR 102 Ca -0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1y8m h THR 102 Cb 0.18 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1y8m h THR 102 CO 0.01 0.01 0.28 0.25 0.37 0.00 0.00 175.52 176.44 1y8m h LEU 103 N 0.08 0.98 -1.10 2.58 5.85 -1.16 -2.18 115.31 120.35 1y8m h LEU 103 Ca 0.12 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1y8m h LEU 103 Cb 0.15 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1y8m h LEU 103 CO -0.19 0.87 -0.35 0.15 -0.34 0.00 0.00 178.44 178.58 1y8m h PHE 104 N 1.04 0.20 -0.64 1.25 3.57 -0.11 -2.80 116.94 119.44 1y8m h PHE 104 Ca 0.24 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1y8m h PHE 104 Cb 0.21 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1y8m h PHE 104 CO 0.02 0.51 0.33 0.93 -2.23 0.00 0.00 178.31 177.87 1y8m h GLU 105 N 0.15 0.90 -1.97 1.11 4.39 -0.26 -3.22 114.58 115.69 1y8m h GLU 105 Ca 0.02 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1y8m h GLU 105 Cb 0.70 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1y8m h GLU 105 CO 0.05 0.70 0.00 0.72 -1.16 0.00 0.00 179.01 179.33 1y8m n HIS 106 N -4.52 0.00 0.00 4.33 8.25 -1.06 -4.86 115.22 117.36 1y8m n HIS 106 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1y8m n HIS 106 Cb 0.11 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.03 1y8m n HIS 106 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1y8m n GLU 107 N 1.64 0.00 0.00 -0.41 0.00 -1.22 -4.51 120.64 116.14 1y8m n GLU 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1y8m n GLU 107 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1y8m n GLU 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1y8m n ARG 108 N 0.00 0.00 0.00 3.44 0.63 -1.26 -4.88 116.66 114.59 1y8m n ARG 108 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1y8m n ARG 108 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1y8m n ARG 108 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1y8m n ASN 109 N 4.92 -4.21 -3.72 6.15 3.02 -1.26 -4.95 115.26 115.20 1y8m n ASN 109 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1y8m n ASN 109 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1y8m n ASN 109 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1y8m s ASN 110 N -4.00 -0.25 0.29 6.41 3.84 -1.26 -5.00 114.94 114.97 1y8m s ASN 110 Ca 0.00 -0.46 0.09 0.00 0.21 0.00 0.00 52.86 52.70 1y8m s ASN 110 Cb 0.00 0.55 0.48 0.00 -0.55 0.00 0.00 41.25 41.73 1y8m s ASN 110 CO 0.00 -1.00 1.12 1.17 -2.79 0.00 0.00 177.10 175.59 1y8m n LYS 111 N -0.31 0.06 0.10 0.43 4.81 -1.26 0.32 118.16 122.31 1y8m n LYS 111 Ca -0.11 0.51 -0.04 0.00 -0.87 0.00 0.00 58.31 57.80 1y8m n LYS 111 Cb 0.63 -2.10 0.01 0.00 0.02 0.00 0.00 35.03 33.59 1y8m n LYS 111 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1y8m h GLN 112 N 0.00 0.00 0.01 1.64 -0.00 -1.98 -2.61 115.11 112.17 1y8m h GLN 112 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1y8m h GLN 112 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.26 1y8m h GLN 112 CO 0.00 0.80 -0.00 0.28 0.00 0.00 0.00 178.83 179.91 1y8m h VAL 113 N 0.00 1.57 -0.61 2.39 2.07 -0.53 -1.29 116.25 119.85 1y8m h VAL 113 Ca -0.01 -1.86 0.13 0.00 0.82 0.00 0.00 66.70 65.78 1y8m h VAL 113 Cb 1.48 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 34.02 1y8m h VAL 113 CO 0.10 0.47 0.42 1.23 0.02 0.00 0.00 177.57 179.81 1y8m h GLY 114 N -0.83 0.37 0.32 2.17 0.00 -1.61 0.13 103.07 103.62 1y8m h GLY 114 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1y8m h GLY 114 CO 0.00 0.04 -0.19 0.00 0.00 0.00 0.00 176.54 176.40 1y8m h ALA 115 N 1.70 0.01 -0.57 3.60 0.00 -1.44 -2.44 119.26 120.12 1y8m h ALA 115 Ca 0.29 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1y8m h ALA 115 Cb 0.82 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1y8m h ALA 115 CO -0.06 0.05 0.31 1.25 0.00 0.00 0.00 179.25 180.80 1y8m h LEU 116 N -0.66 0.47 -2.10 0.00 5.85 -0.39 0.16 115.31 118.64 1y8m h LEU 116 Ca -0.03 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1y8m h LEU 116 Cb 1.01 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1y8m h LEU 116 CO 0.04 0.32 0.03 0.50 -0.34 0.00 0.00 178.44 178.98 1y8m h LYS 117 N 0.60 0.00 -0.03 1.25 3.11 -0.83 -1.10 116.57 119.56 1y8m h LYS 117 Ca 0.25 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 58.03 1y8m h LYS 117 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 1y8m h LYS 117 CO -0.15 0.00 -0.23 1.03 -2.81 0.00 0.00 179.45 177.29 1y8m h SER 118 N 0.00 0.04 -0.11 4.20 0.87 -0.16 0.90 113.55 119.30 1y8m h SER 118 Ca 0.02 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 1y8m h SER 118 Cb 0.07 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1y8m h SER 118 CO -0.00 0.28 -0.47 0.24 -0.53 0.00 0.00 176.83 176.35 1y8m h MET 119 N 0.04 0.50 0.21 2.24 2.86 -1.03 -0.40 114.93 119.36 1y8m h MET 119 Ca 0.01 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1y8m h MET 119 Cb 0.43 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1y8m h MET 119 CO 0.03 1.03 -0.10 0.28 1.06 0.00 0.00 176.91 179.21 1y8m h VAL 120 N 0.10 0.85 -0.11 -2.22 2.07 -1.38 -1.26 116.25 114.29 1y8m h VAL 120 Ca -0.03 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 1y8m h VAL 120 Cb 1.11 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1y8m h VAL 120 CO 0.10 0.08 -0.52 -0.33 0.02 0.00 0.00 177.57 176.92 1y8m h GLU 121 N -0.45 0.32 0.00 1.57 4.39 -0.91 -2.47 114.58 117.03 1y8m h GLU 121 Ca -0.03 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 1y8m h GLU 121 Cb 0.34 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1y8m h GLU 121 CO 0.05 0.76 -0.37 0.22 -1.16 0.00 0.00 179.01 178.51 1y8m h ASP 122 N 0.25 0.00 0.87 1.42 3.58 -0.99 -2.14 116.42 119.42 1y8m h ASP 122 Ca 0.01 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.23 1y8m h ASP 122 Cb 1.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.02 1y8m h ASP 122 CO 0.08 0.37 -1.13 0.11 -2.88 0.00 0.00 179.24 175.80 1y8m h LYS 123 N 0.00 0.05 0.00 0.28 1.79 -0.96 0.02 116.57 117.74 1y8m h LYS 123 Ca -0.00 -0.08 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 1y8m h LYS 123 Cb 0.68 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 1y8m h LYS 123 CO 0.05 0.98 -0.50 0.82 -1.08 0.00 0.00 179.45 179.72 1y8m h ILE 124 N 0.01 0.91 0.05 1.86 2.04 -1.27 -2.10 117.51 119.01 1y8m h ILE 124 Ca -0.07 -2.10 -0.21 0.00 1.00 0.00 0.00 64.86 63.48 1y8m h ILE 124 Cb 1.83 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 40.22 1y8m h ILE 124 CO 0.14 0.49 -1.12 1.56 0.00 0.00 0.00 178.15 179.21 1y8m h GLN 125 N 0.00 0.10 0.00 2.37 1.08 -1.43 -3.37 115.11 113.86 1y8m h GLN 125 Ca -0.00 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 1y8m h GLN 125 Cb 1.28 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1y8m h GLN 125 CO 0.06 1.08 -0.04 0.87 -0.95 0.00 0.00 178.83 179.86 1y8m h LYS 126 N -0.69 0.00 0.00 1.46 1.79 -1.07 -2.95 116.57 115.11 1y8m h LYS 126 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1y8m h LYS 126 Cb 1.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 1y8m h LYS 126 CO -0.06 0.04 0.00 -0.85 -1.08 0.00 0.00 179.45 177.50 1y8m n GLU 127 N -3.13 0.09 -1.22 3.15 0.28 -0.79 -4.60 120.64 114.41 1y8m n GLU 127 Ca 0.01 0.23 -0.10 0.00 -0.16 0.00 0.00 57.16 57.14 1y8m n GLU 127 Cb 0.39 -1.64 -0.06 0.00 1.43 0.00 0.00 31.44 31.56 1y8m n GLU 127 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1y8m n THR 128 N -1.80 0.00 -0.05 3.84 -1.04 -1.12 -4.29 114.28 109.82 1y8m n THR 128 Ca 0.04 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1y8m n THR 128 Cb 0.27 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 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 11.77 0.71 -4.72 -4.42 7.94 -1.26 -5.04 117.00 121.97 1y8m n LEU 129 Ca 0.22 -0.83 -0.30 0.00 -1.11 0.00 0.00 56.01 54.00 1y8m n LEU 129 Cb 0.46 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.61 1y8m n LEU 129 CO 0.58 0.18 0.70 -1.59 -1.11 0.00 0.00 177.39 176.15 1y8m s LYS 130 N -0.23 -0.18 0.06 1.96 -2.85 -1.26 -4.94 119.74 112.30 1y8m s LYS 130 Ca 0.00 -0.03 -0.31 0.00 -1.00 0.00 0.00 55.97 54.64 1y8m s LYS 130 Cb 0.00 -1.72 -0.07 0.00 -2.06 0.00 0.00 37.83 33.99 1y8m s LYS 130 CO 0.00 -3.02 1.36 0.20 0.10 0.00 0.00 175.35 173.98 1y8m s GLY 131 N -4.12 2.01 1.19 0.59 0.00 -1.26 -4.99 107.32 100.75 1y8m s GLY 131 Ca 0.70 0.98 -0.17 0.00 0.00 0.00 0.00 44.72 46.23 1y8m s GLY 131 CO 0.55 2.35 0.49 1.55 0.00 0.00 0.00 173.10 178.04 1y8m n VAL 132 N 4.21 0.00 0.00 1.40 3.14 -1.26 -4.89 118.33 120.92 1y8m n VAL 132 Ca 0.12 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 1y8m n VAL 132 Cb 0.44 -0.78 0.00 0.00 -1.06 0.00 0.00 33.84 32.43 1y8m n VAL 132 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1y8m n VAL 133 N -4.84 0.00 -0.82 1.55 0.31 -1.26 -4.55 118.33 108.72 1y8m n VAL 133 Ca 0.03 1.31 -0.31 0.00 -0.01 0.00 0.00 64.34 65.36 1y8m n VAL 133 Cb 0.57 -1.98 0.16 0.00 -0.91 0.00 0.00 33.84 31.68 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 -2.22 2.34 0.00 2.52 -7.23 -1.26 -4.98 120.40 109.57 1y8m s VAL 134 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 1y8m s VAL 134 Cb 0.00 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1y8m s VAL 134 CO 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 175.10 174.64 1y8m n ALA 135 N -4.16 1.53 -2.15 1.32 0.00 -1.26 -5.05 120.51 110.74 1y8m n ALA 135 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 1y8m n ALA 135 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 0.56 -5.00 2.98 0.00 0.00 -1.26 -4.48 105.19 97.99 1y8m n GLY 136 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 1.36 2.20 3.76 -0.02 0.00 -1.26 -4.95 105.19 106.29 1y8m n GLY 137 Ca -0.13 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 2.38 -0.28 1.61 0.11 -1.26 -5.01 120.40 117.95 1y8m s VAL 138 Ca 0.00 0.32 -0.25 0.00 -2.93 0.00 0.00 61.98 59.12 1y8m s VAL 138 Cb 0.00 -3.18 0.14 0.00 -1.53 0.00 0.00 36.38 31.81 1y8m s VAL 138 CO 0.00 0.03 1.16 -2.28 -3.33 0.00 0.00 175.10 170.68 1y8m s HIS 139 N -1.29 -0.34 -1.22 1.54 2.46 -1.26 -4.86 115.29 110.33 1y8m s HIS 139 Ca 0.63 0.81 -0.21 0.00 0.47 0.00 0.00 55.06 56.76 1y8m s HIS 139 Cb -0.39 0.40 -0.03 0.00 -0.13 0.00 0.00 32.58 32.43 1y8m s HIS 139 CO 0.49 -0.17 1.86 -1.01 -2.47 0.00 0.00 174.74 173.44 1y8m s HIS 140 N 0.12 2.24 -0.48 3.88 4.02 -1.26 -4.62 115.29 119.20 1y8m s HIS 140 Ca 0.04 -0.27 0.04 0.00 1.02 0.00 0.00 55.06 55.90 1y8m s HIS 140 Cb -0.05 -4.27 0.21 0.00 -1.02 0.00 0.00 32.58 27.45 1y8m s HIS 140 CO -0.09 -1.43 0.86 1.58 1.02 0.00 0.00 174.74 176.68 1y8m n HIS 141 N 12.23 -3.11 -3.85 1.40 -0.00 -1.26 -5.15 115.22 115.49 1y8m n HIS 141 Ca 0.46 -1.35 -0.08 0.00 0.46 0.00 0.00 57.72 57.21 1y8m n HIS 141 Cb 0.46 1.44 -0.01 0.00 -0.12 0.00 0.00 29.99 31.77 1y8m n HIS 141 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1y8m s HIS 142 N 0.78 -0.08 1.19 1.57 -3.43 -1.26 -5.16 115.29 108.90 1y8m s HIS 142 Ca 0.30 -0.45 -0.14 0.00 -0.80 0.00 0.00 55.06 53.97 1y8m s HIS 142 Cb 0.10 0.74 0.30 0.00 -1.43 0.00 0.00 32.58 32.28 1y8m s HIS 142 CO -0.12 -1.34 1.02 -1.58 -2.00 0.00 0.00 174.74 170.72 1y8m s HIS 143 N -3.43 1.24 0.00 0.38 5.65 -1.26 -5.26 115.29 112.61 1y8m s HIS 143 Ca 0.13 1.10 0.00 0.00 0.25 0.00 0.00 55.06 56.53 1y8m s HIS 143 Cb -0.06 -3.08 0.00 0.00 -1.18 0.00 0.00 32.58 28.26 1y8m s HIS 143 CO 0.08 -3.99 0.00 -2.39 -0.65 0.00 0.00 174.74 167.79