#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8m s THR 2 N 0.00 3.49 -1.67 2.03 -4.23 -1.26 -4.67 115.64 109.34 1y8m s THR 2 Ca 0.00 -0.81 0.17 0.00 -1.18 0.00 0.00 61.69 59.87 1y8m s THR 2 Cb 0.00 -4.48 0.39 0.00 1.34 0.00 0.00 72.50 69.74 1y8m s THR 2 CO 0.00 -0.90 1.49 2.29 -0.54 0.00 0.00 174.62 176.96 1y8m n LYS 3 N 8.30 0.37 -2.63 3.99 2.85 -1.26 -4.61 118.16 125.17 1y8m n LYS 3 Ca 0.44 0.07 -0.43 0.00 -1.05 0.00 0.00 58.31 57.35 1y8m n LYS 3 Cb 0.47 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.32 1y8m n LYS 3 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1y8m s VAL 4 N -2.33 4.30 -1.27 0.58 1.01 -1.26 -4.94 120.40 116.48 1y8m s VAL 4 Ca 0.21 1.28 -0.14 0.00 0.00 0.00 0.00 61.98 63.33 1y8m s VAL 4 Cb 0.12 -4.55 0.13 0.00 0.00 0.00 0.00 36.38 32.08 1y8m s VAL 4 CO 0.24 -0.88 1.67 0.47 0.00 0.00 0.00 175.10 176.60 1y8m n ASP 5 N 7.57 5.00 -4.82 3.32 9.92 -1.26 -4.97 116.55 131.30 1y8m n ASP 5 Ca 0.11 -2.98 -0.38 0.00 -0.53 0.00 0.00 54.79 51.02 1y8m n ASP 5 Cb 0.49 -1.61 -0.06 0.00 -0.64 0.00 0.00 41.12 39.30 1y8m n ASP 5 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1y8m s PHE 6 N 2.17 3.66 0.18 1.24 -0.12 -1.26 -5.07 117.98 118.78 1y8m s PHE 6 Ca 0.45 0.87 -0.18 0.00 -0.05 0.00 0.00 56.93 58.02 1y8m s PHE 6 Cb 0.03 -2.26 -0.08 0.00 -0.63 0.00 0.00 43.02 40.08 1y8m s PHE 6 CO 0.01 0.58 0.66 -1.58 -0.05 0.00 0.00 175.22 174.85 1y8m s TRP 7 N -0.78 3.67 1.12 3.49 0.51 -1.26 -5.05 118.94 120.64 1y8m s TRP 7 Ca 0.22 1.29 -0.12 0.00 -2.12 0.00 0.00 56.10 55.37 1y8m s TRP 7 Cb -0.15 -2.54 0.26 0.00 -0.81 0.00 0.00 33.47 30.23 1y8m s TRP 7 CO 0.11 0.40 1.05 -1.25 -0.51 0.00 0.00 176.95 176.75 1y8m s PRO 8 N -1.83 -0.60 0.45 4.98 0.04 -1.26 -5.00 135.00 131.78 1y8m s PRO 8 Ca 0.39 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.39 1y8m s PRO 8 Cb -0.17 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 32.75 1y8m s PRO 8 CO 0.20 -3.57 0.78 0.95 0.04 0.00 0.00 177.00 175.41 1y8m s THR 9 N -2.47 4.85 0.32 1.26 -4.23 -1.26 -4.97 115.64 109.14 1y8m s THR 9 Ca 0.68 0.41 0.08 0.00 -1.18 0.00 0.00 61.69 61.69 1y8m s THR 9 Cb -0.25 -3.80 0.07 0.00 1.34 0.00 0.00 72.50 69.85 1y8m s THR 9 CO 0.64 -0.70 1.76 0.25 -0.54 0.00 0.00 174.62 176.02 1y8m h LEU 10 N 0.70 0.20 -1.73 4.79 5.85 -1.94 -2.00 115.31 121.18 1y8m h LEU 10 Ca -0.47 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 1y8m h LEU 10 Cb 1.20 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1y8m h LEU 10 CO 0.63 0.55 -0.12 0.50 -0.34 0.00 0.00 178.44 179.66 1y8m h LYS 11 N 0.17 0.02 -0.12 1.25 3.11 -2.01 -0.82 116.57 118.17 1y8m h LYS 11 Ca 0.02 -0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.89 1y8m h LYS 11 Cb 0.72 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.94 1y8m h LYS 11 CO 0.05 0.14 0.12 0.22 -2.81 0.00 0.00 179.45 177.17 1y8m h ASP 12 N 0.02 0.00 0.12 4.20 1.82 -1.74 -0.55 116.42 120.28 1y8m h ASP 12 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1y8m h ASP 12 Cb 0.22 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 1y8m h ASP 12 CO 0.02 0.00 -0.05 0.00 -1.61 0.00 0.00 179.24 177.59 1y8m h ALA 13 N 1.88 1.53 -0.36 -0.78 0.00 -1.25 -1.81 119.26 118.47 1y8m h ALA 13 Ca 0.06 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1y8m h ALA 13 Cb 0.29 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 1y8m h ALA 13 CO -0.00 0.06 0.25 0.66 0.00 0.00 0.00 179.25 180.22 1y8m n TYR 14 N -3.92 1.12 -3.86 0.00 4.02 -0.22 -4.56 117.16 109.75 1y8m n TYR 14 Ca -0.03 -1.07 -0.28 0.00 -0.01 0.00 0.00 57.90 56.51 1y8m n TYR 14 Cb 0.14 -0.54 -0.12 0.00 -0.02 0.00 0.00 39.34 38.80 1y8m n TYR 14 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1y8m n GLU 15 N -0.02 1.89 -1.63 -0.72 1.02 -0.68 -5.07 120.64 115.44 1y8m n GLU 15 Ca 0.22 -4.50 -0.43 0.00 -0.02 0.00 0.00 57.16 52.42 1y8m n GLU 15 Cb 0.89 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 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 1.86 2.35 0.00 3.49 -0.02 -1.26 -4.96 135.00 136.46 1y8m n PRO 16 Ca 0.21 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1y8m n PRO 16 Cb 0.36 -3.08 0.00 0.00 -0.02 0.00 0.00 33.50 30.76 1y8m n PRO 16 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1y8m n LEU 17 N 9.49 0.00 -4.92 2.45 -0.00 -1.26 -5.07 117.00 117.69 1y8m n LEU 17 Ca 0.26 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.96 1y8m n LEU 17 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.79 1y8m n LEU 17 CO 0.68 0.00 -0.11 -0.31 -0.00 0.00 0.00 177.39 177.65 1y8m s TYR 18 N 0.90 3.51 0.67 1.47 2.02 -1.26 -4.97 117.35 119.68 1y8m s TYR 18 Ca 0.00 0.29 0.41 0.00 -0.37 0.00 0.00 57.07 57.40 1y8m s TYR 18 Cb 0.00 -1.80 2.26 0.00 -0.40 0.00 0.00 41.96 42.02 1y8m s TYR 18 CO 0.00 0.55 2.28 -1.00 -1.57 0.00 0.00 175.55 175.81 1y8m h PRO 19 N 2.90 0.00 0.29 -1.71 0.13 -1.99 -2.57 132.00 129.05 1y8m h PRO 19 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1y8m h PRO 19 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1y8m h PRO 19 CO 0.74 0.00 -0.14 0.37 -0.23 0.00 0.00 178.00 178.74 1y8m h GLN 20 N 0.00 -0.38 -0.40 0.86 4.15 -2.00 -1.97 115.11 115.37 1y8m h GLN 20 Ca 0.00 0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.56 1y8m h GLN 20 Cb 0.14 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1y8m h GLN 20 CO -0.00 -0.04 0.29 1.96 -1.93 0.00 0.00 178.83 179.11 1y8m h GLN 21 N -0.82 0.02 -0.08 1.69 1.08 -1.87 0.19 115.11 115.33 1y8m h GLN 21 Ca -0.04 -0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.03 1y8m h GLN 21 Cb 0.51 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1y8m h GLN 21 CO 0.07 0.02 -0.51 1.25 -0.95 0.00 0.00 178.83 178.70 1y8m h LEU 22 N 0.03 0.23 -0.44 1.46 5.85 -1.35 -2.94 115.31 118.13 1y8m h LEU 22 Ca 0.19 -0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 1y8m h LEU 22 Cb 0.73 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1y8m h LEU 22 CO -0.01 0.70 -0.73 -0.33 -0.34 0.00 0.00 178.44 177.74 1y8m h GLU 23 N 0.16 0.31 -0.12 1.25 4.39 0.14 -2.81 114.58 117.90 1y8m h GLU 23 Ca 0.00 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.47 1y8m h GLU 23 Cb 0.96 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 1y8m h GLU 23 CO 0.08 0.91 -0.05 0.82 -1.16 0.00 0.00 179.01 179.61 1y8m h ILE 24 N 0.21 0.83 0.00 3.13 2.04 -1.23 0.45 117.51 122.94 1y8m h ILE 24 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1y8m h ILE 24 Cb 1.30 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1y8m h ILE 24 CO 0.12 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 178.09 1y8m h LEU 25 N -0.03 0.00 -0.15 1.44 3.38 -1.52 -1.69 115.31 116.73 1y8m h LEU 25 Ca 0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 1y8m h LEU 25 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1y8m h LEU 25 CO -0.15 0.11 -0.83 -0.09 0.09 0.00 0.00 178.44 177.57 1y8m h ARG 26 N 0.00 0.74 -0.65 1.13 2.43 -0.77 -2.24 114.38 115.02 1y8m h ARG 26 Ca -0.00 -0.64 0.06 0.00 -0.81 0.00 0.00 59.98 58.58 1y8m h ARG 26 Cb 0.20 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1y8m h ARG 26 CO 0.01 1.24 0.36 1.96 -1.51 0.00 0.00 179.97 182.04 1y8m h GLN 27 N 0.49 0.65 -0.37 0.20 1.08 0.70 0.57 115.11 118.42 1y8m h GLN 27 Ca -0.07 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.02 1y8m h GLN 27 Cb 1.46 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.73 1y8m h GLN 27 CO 0.17 0.43 -0.07 1.96 -0.95 0.00 0.00 178.83 180.36 1y8m h GLN 28 N 0.67 0.63 0.08 1.46 4.20 -1.35 0.90 115.11 121.70 1y8m h GLN 28 Ca 0.29 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1y8m h GLN 28 Cb 0.17 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1y8m h GLN 28 CO -0.18 0.70 -0.04 0.28 -0.67 0.00 0.00 178.83 178.92 1y8m h VAL 29 N 0.58 1.17 -0.30 -0.54 2.07 -0.48 -2.13 116.25 116.63 1y8m h VAL 29 Ca 0.11 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 1y8m h VAL 29 Cb 0.48 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1y8m h VAL 29 CO 0.03 0.30 -0.08 0.58 0.02 0.00 0.00 177.57 178.41 1y8m h VAL 30 N -0.73 1.28 -0.21 2.57 2.07 0.16 1.59 116.25 122.98 1y8m h VAL 30 Ca -0.01 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1y8m h VAL 30 Cb 0.57 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1y8m h VAL 30 CO 0.02 0.36 0.09 0.77 0.02 0.00 0.00 177.57 178.83 1y8m h SER 31 N 0.34 0.25 0.36 0.57 4.64 0.74 -0.01 113.55 120.44 1y8m h SER 31 Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1y8m h SER 31 Cb 0.57 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1y8m h SER 31 CO 0.03 0.22 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.54 1y8m n GLU 32 N -4.46 0.68 0.00 4.77 -0.58 -0.80 -4.84 120.64 115.41 1y8m n GLU 32 Ca 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1y8m n GLU 32 Cb 0.11 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 1.23 1.52 7.00 0.62 0.00 -0.03 -3.89 105.19 111.64 1y8m n GLY 33 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.42 3.20 0.30 -0.02 0.00 0.54 -2.58 105.19 106.20 1y8m n GLY 34 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.84 0.00 1.61 0.11 -1.94 0.16 132.00 132.78 1y8m h PRO 35 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1y8m h PRO 35 Cb 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.92 1y8m h PRO 35 CO 0.00 0.56 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 1y8m n THR 36 N -4.68 0.00 0.00 -1.15 -2.24 -1.07 -4.52 114.28 100.62 1y8m n THR 36 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1y8m n THR 36 Cb 0.16 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1y8m n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y8m n ALA 37 N -0.72 0.00 -3.22 6.98 0.00 0.55 -4.77 120.51 119.33 1y8m n ALA 37 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1y8m n ALA 37 Cb 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.40 1y8m n ALA 37 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1y8m s THR 38 N 0.00 0.06 0.46 0.00 -4.23 -1.26 -4.96 115.64 105.71 1y8m s THR 38 Ca 0.00 -0.49 0.11 0.00 -1.18 0.00 0.00 61.69 60.13 1y8m s THR 38 Cb 0.00 -0.64 0.26 0.00 1.34 0.00 0.00 72.50 73.46 1y8m s THR 38 CO 0.00 -0.27 2.09 0.40 -0.54 0.00 0.00 174.62 176.30 1y8m h ILE 39 N 3.81 1.06 -0.00 2.99 2.04 -1.95 -1.72 117.51 123.73 1y8m h ILE 39 Ca -0.30 -0.14 -0.14 0.00 1.00 0.00 0.00 64.86 65.28 1y8m h ILE 39 Cb 1.18 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1y8m h ILE 39 CO 0.41 0.06 -0.67 1.56 0.00 0.00 0.00 178.15 179.51 1y8m h GLN 40 N 0.27 0.01 -0.10 2.37 4.20 -1.99 -2.39 115.11 117.47 1y8m h GLN 40 Ca 0.07 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1y8m h GLN 40 Cb -0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1y8m h GLN 40 CO -0.01 0.67 -0.12 0.77 -0.67 0.00 0.00 178.83 179.47 1y8m h SER 41 N 0.01 0.28 -0.04 1.46 0.02 -1.72 -3.04 113.55 110.51 1y8m h SER 41 Ca -0.01 -0.50 -0.07 0.00 -0.84 0.00 0.00 61.79 60.38 1y8m h SER 41 Cb 1.18 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1y8m h SER 41 CO 0.09 0.72 -0.16 0.03 -1.14 0.00 0.00 176.83 176.37 1y8m h ARG 42 N -0.15 0.38 -0.25 3.45 3.08 -1.52 -2.82 114.38 116.54 1y8m h ARG 42 Ca 0.01 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.02 1y8m h ARG 42 Cb 0.65 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 1y8m h ARG 42 CO 0.03 0.54 -0.15 0.35 -1.07 0.00 0.00 179.97 179.67 1y8m h PHE 43 N 0.35 -0.36 -0.22 3.04 3.04 -1.32 -0.96 116.94 120.52 1y8m h PHE 43 Ca 0.07 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.96 1y8m h PHE 43 Cb 0.49 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 1y8m h PHE 43 CO 0.01 -0.22 -0.25 -2.95 -2.02 0.00 0.00 178.31 172.89 1y8m h ASN 44 N -0.12 0.40 -0.83 0.41 7.08 -1.46 -2.74 115.58 118.33 1y8m h ASN 44 Ca 0.14 -0.13 0.08 0.00 -3.08 0.00 0.00 56.30 53.30 1y8m h ASN 44 Cb 0.33 -0.11 -0.07 0.00 -2.08 0.00 0.00 38.32 36.39 1y8m h ASN 44 CO -0.33 0.66 0.49 0.22 -2.08 0.00 0.00 177.43 176.39 1y8m h TYR 45 N 0.36 0.90 0.00 4.14 3.20 -0.96 -0.13 116.97 124.49 1y8m h TYR 45 Ca 0.06 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1y8m h TYR 45 Cb 0.64 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1y8m h TYR 45 CO 0.02 0.41 -0.40 0.00 -1.64 0.00 0.00 178.16 176.55 1y8m h ALA 46 N 1.42 1.34 -0.04 1.82 0.00 -1.05 -3.08 119.26 119.68 1y8m h ALA 46 Ca 0.38 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y8m h ALA 46 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1y8m h ALA 46 CO -0.21 0.50 0.02 2.35 0.00 0.00 0.00 179.25 181.91 1y8m h TRP 47 N 0.00 0.05 -0.58 0.00 2.91 -0.86 0.07 115.95 117.54 1y8m h TRP 47 Ca -0.00 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1y8m h TRP 47 Cb 0.71 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.31 1y8m h TRP 47 CO 0.00 0.08 0.36 0.78 -1.03 0.00 0.00 178.44 178.63 1y8m h GLY 48 N 0.00 0.82 1.98 2.65 0.00 -1.44 -1.34 103.07 105.74 1y8m h GLY 48 Ca 0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1y8m h GLY 48 CO -0.00 0.31 -0.59 1.41 0.00 0.00 0.00 176.54 177.67 1y8m h LEU 49 N 0.79 0.03 -0.79 3.11 3.38 -1.36 -2.99 115.31 117.48 1y8m h LEU 49 Ca 0.21 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1y8m h LEU 49 Cb -0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1y8m h LEU 49 CO -0.04 0.61 -0.29 0.40 0.09 0.00 0.00 178.44 179.21 1y8m h ILE 50 N 0.02 1.28 0.00 1.22 1.08 0.15 -1.98 117.51 119.28 1y8m h ILE 50 Ca -0.01 -1.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.08 1y8m h ILE 50 Cb 1.05 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 1y8m h ILE 50 CO 0.08 0.44 0.00 0.29 -0.69 0.00 0.00 178.15 178.27 1y8m n LYS 51 N -4.09 0.21 -0.85 2.37 5.02 -0.97 -4.83 118.16 115.02 1y8m n LYS 51 Ca -0.01 0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 1y8m n LYS 51 Cb 0.45 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.10 1y8m n LYS 51 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y8m n SER 52 N -1.37 0.11 0.01 4.39 2.88 -0.75 -4.22 113.62 114.67 1y8m n SER 52 Ca 0.09 0.46 -0.16 0.00 -1.33 0.00 0.00 58.87 57.93 1y8m n SER 52 Cb 0.23 -1.44 -0.14 0.00 -0.75 0.00 0.00 64.21 62.11 1y8m n SER 52 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1y8m h THR 53 N -1.48 0.77 -4.21 2.46 1.35 -1.88 -3.46 112.91 106.46 1y8m h THR 53 Ca -0.44 -2.52 -0.49 0.00 -0.55 0.00 0.00 66.41 62.41 1y8m h THR 53 Cb 1.28 2.52 0.05 0.00 -1.73 0.00 0.00 68.15 70.27 1y8m h THR 53 CO 0.42 0.75 0.38 -1.81 -0.25 0.00 0.00 175.52 175.00 1y8m s ASP 54 N -6.72 6.11 0.24 5.36 1.01 -1.26 -4.95 116.67 116.46 1y8m s ASP 54 Ca -0.14 1.69 0.26 0.00 0.71 0.00 0.00 52.55 55.06 1y8m s ASP 54 Cb 0.07 -2.52 0.72 0.00 1.01 0.00 0.00 42.92 42.20 1y8m s ASP 54 CO 0.80 -0.94 1.73 1.62 0.21 0.00 0.00 175.17 178.58 1y8m h VAL 55 N 0.51 0.00 -0.52 -1.27 3.04 -1.98 -3.18 116.25 112.86 1y8m h VAL 55 Ca -0.46 -0.55 -0.06 0.00 -1.01 0.00 0.00 66.70 64.61 1y8m h VAL 55 Cb 1.20 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.99 1y8m h VAL 55 CO 0.59 0.00 0.07 -0.55 -1.01 0.00 0.00 177.57 176.67 1y8m h ASN 56 N 0.00 0.84 0.02 3.17 7.08 -1.98 0.19 115.58 124.91 1y8m h ASN 56 Ca 0.00 -0.27 -0.25 0.00 -3.08 0.00 0.00 56.30 52.70 1y8m h ASN 56 Cb 0.78 -0.22 0.02 0.00 -2.08 0.00 0.00 38.32 36.82 1y8m h ASN 56 CO 0.00 0.89 -1.00 0.44 -2.08 0.00 0.00 177.43 175.68 1y8m h ASP 57 N 0.75 0.84 -0.64 6.14 5.19 -1.86 -2.80 116.42 124.05 1y8m h ASP 57 Ca 0.16 -0.76 -0.07 0.00 -0.62 0.00 0.00 57.03 55.73 1y8m h ASP 57 Cb 0.42 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 1y8m h ASP 57 CO 0.01 1.50 0.13 -0.33 -3.12 0.00 0.00 179.24 177.43 1y8m h GLU 58 N 0.28 1.06 0.00 3.56 5.08 -1.51 -1.38 114.58 121.68 1y8m h GLU 58 Ca -0.13 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 1y8m h GLU 58 Cb 1.67 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1y8m h GLU 58 CO 0.20 0.96 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.83 1y8m h ARG 59 N 1.00 0.00 0.01 2.33 2.43 -0.65 -2.33 114.38 117.18 1y8m h ARG 59 Ca 0.20 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.16 1y8m h ARG 59 Cb 0.40 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1y8m h ARG 59 CO 0.01 0.25 -0.85 1.25 -1.51 0.00 0.00 179.97 179.12 1y8m h LEU 60 N 0.00 0.72 -0.87 3.80 5.85 -1.09 -3.09 115.31 120.63 1y8m h LEU 60 Ca -0.00 -0.76 0.01 0.00 0.84 0.00 0.00 57.88 57.97 1y8m h LEU 60 Cb 0.57 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1y8m h LEU 60 CO 0.03 1.39 0.58 1.23 -0.34 0.00 0.00 178.44 181.33 1y8m h GLY 61 N 0.13 1.24 0.64 3.75 0.00 -0.98 -1.95 103.07 105.90 1y8m h GLY 61 Ca -0.11 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 46.80 1y8m h GLY 61 CO 0.17 0.43 -0.08 -2.08 0.00 0.00 0.00 176.54 174.97 1y8m h VAL 62 N 1.16 0.76 -0.54 4.60 2.07 -1.45 0.48 116.25 123.33 1y8m h VAL 62 Ca 0.33 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.92 1y8m h VAL 62 Cb -0.10 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1y8m h VAL 62 CO -0.08 0.00 0.22 0.50 0.02 0.00 0.00 177.57 178.23 1y8m h LYS 63 N -0.09 0.42 -0.02 1.57 3.64 -1.35 0.80 116.57 121.53 1y8m h LYS 63 Ca 0.07 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1y8m h LYS 63 Cb 0.20 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1y8m h LYS 63 CO -0.17 0.27 0.01 0.82 -2.27 0.00 0.00 179.45 178.12 1y8m h ILE 64 N 0.43 1.14 -0.13 2.00 2.04 -0.61 0.46 117.51 122.83 1y8m h ILE 64 Ca 0.26 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1y8m h ILE 64 Cb 0.26 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1y8m h ILE 64 CO -0.24 0.11 0.03 -0.07 0.00 0.00 0.00 178.15 177.98 1y8m h LEU 65 N -0.12 0.16 0.00 1.44 3.38 0.72 0.18 115.31 121.06 1y8m h LEU 65 Ca 0.01 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1y8m h LEU 65 Cb 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1y8m h LEU 65 CO -0.00 0.17 -0.67 0.74 0.09 0.00 0.00 178.44 178.77 1y8m h THR 66 N 0.18 0.90 -0.03 0.22 2.02 0.11 -2.06 112.91 114.25 1y8m h THR 66 Ca 0.05 -2.30 -0.15 0.00 0.77 0.00 0.00 66.41 64.77 1y8m h THR 66 Cb 0.08 2.41 0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1y8m h THR 66 CO -0.00 0.51 -0.58 -0.78 0.37 0.00 0.00 175.52 175.04 1y8m h ASP 67 N 0.00 0.55 0.52 4.18 1.82 0.14 -2.65 116.42 120.99 1y8m h ASP 67 Ca -0.03 -0.73 -0.07 0.00 -0.39 0.00 0.00 57.03 55.81 1y8m h ASP 67 Cb 1.45 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.28 1y8m h ASP 67 CO 0.07 1.20 -0.35 0.40 -1.61 0.00 0.00 179.24 178.95 1y8m h ILE 68 N -0.05 1.05 0.40 2.25 2.04 -0.76 0.42 117.51 122.86 1y8m h ILE 68 Ca -0.06 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 1y8m h ILE 68 Cb 1.27 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1y8m h ILE 68 CO 0.11 0.34 -0.19 0.22 0.00 0.00 0.00 178.15 178.64 1y8m h TYR 69 N 0.00 -0.50 0.00 1.37 3.20 -1.31 -2.98 116.97 116.75 1y8m h TYR 69 Ca -0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1y8m h TYR 69 Cb 0.70 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1y8m h TYR 69 CO 0.00 -0.17 -0.25 0.87 -1.64 0.00 0.00 178.16 176.97 1y8m h LYS 70 N -0.87 0.00 -1.90 1.82 1.57 -1.41 -3.26 116.57 112.53 1y8m h LYS 70 Ca -0.05 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 57.98 1y8m h LYS 70 Cb 0.55 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.57 1y8m h LYS 70 CO 0.09 0.25 0.90 -1.91 -0.57 0.00 0.00 179.45 178.21 1y8m n GLU 71 N -3.28 2.81 -0.67 3.15 4.07 0.15 -4.95 120.64 121.91 1y8m n GLU 71 Ca 0.01 -3.59 0.00 0.00 -0.06 0.00 0.00 57.16 53.52 1y8m n GLU 71 Cb 0.51 -2.27 0.00 0.00 -0.06 0.00 0.00 31.44 29.63 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1y8m n ALA 72 N -0.56 0.00 -2.00 4.31 0.00 -1.13 -4.77 120.51 116.36 1y8m n ALA 72 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1y8m n ALA 72 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1y8m n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y8m n GLU 73 N 0.00 0.00 -0.45 0.00 -0.58 -1.26 -4.89 120.64 113.46 1y8m n GLU 73 Ca 0.00 0.00 0.41 0.00 -0.42 0.00 0.00 57.16 57.15 1y8m n GLU 73 Cb 0.00 0.00 0.69 0.00 -0.57 0.00 0.00 31.44 31.56 1y8m n GLU 73 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1y8m h SER 74 N 0.00 0.00 0.04 1.62 0.02 -2.00 2.10 113.55 115.33 1y8m h SER 74 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1y8m h SER 74 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1y8m h SER 74 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1y8m n ARG 75 N -3.74 0.51 -0.04 3.45 5.12 -1.26 -2.92 116.66 117.79 1y8m n ARG 75 Ca 0.33 0.02 -0.16 0.00 -1.93 0.00 0.00 57.85 56.10 1y8m n ARG 75 Cb 1.67 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 31.41 1y8m n ARG 75 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 1y8m h ARG 76 N 0.00 0.80 -0.30 5.56 0.11 0.31 -3.14 114.38 117.73 1y8m h ARG 76 Ca 0.00 -0.60 0.06 0.00 0.10 0.00 0.00 59.98 59.54 1y8m h ARG 76 Cb 0.02 0.11 -0.06 0.00 1.11 0.00 0.00 29.97 31.15 1y8m h ARG 76 CO 0.00 1.22 -0.10 0.00 0.10 0.00 0.00 179.97 181.19 1y8m h ARG 77 N 0.57 -0.03 -0.88 0.08 3.08 -1.72 0.43 114.38 115.91 1y8m h ARG 77 Ca -0.03 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.10 1y8m h ARG 77 Cb 1.32 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.32 1y8m h ARG 77 CO 0.15 -0.02 0.57 0.93 -1.07 0.00 0.00 179.97 180.53 1y8m h GLU 78 N -0.03 0.91 -0.72 0.04 3.07 -1.77 -1.34 114.58 114.74 1y8m h GLU 78 Ca 0.15 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1y8m h GLU 78 Cb 0.26 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 1y8m h GLU 78 CO -0.33 0.60 0.23 0.00 -1.40 0.00 0.00 179.01 178.12 1y8m h LEU 80 N 1.07 0.79 -0.03 0.00 3.38 -0.07 0.73 115.31 121.18 1y8m h LEU 80 Ca 0.24 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1y8m h LEU 80 Cb 0.29 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1y8m h LEU 80 CO -0.01 0.37 -0.01 0.22 0.09 0.00 0.00 178.44 179.11 1y8m h TYR 81 N 0.84 0.06 -0.08 1.13 3.20 -1.37 -2.51 116.97 118.25 1y8m h TYR 81 Ca 0.50 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.28 1y8m h TYR 81 Cb 0.61 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1y8m h TYR 81 CO -0.03 0.41 -0.33 1.88 -1.64 0.00 0.00 178.16 178.46 1y8m h TYR 82 N -0.30 0.16 -0.52 -3.82 0.05 -0.86 -2.78 116.97 108.90 1y8m h TYR 82 Ca 0.01 -0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.64 1y8m h TYR 82 Cb 0.39 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 1y8m h TYR 82 CO 0.05 0.46 -0.12 -0.07 -1.05 0.00 0.00 178.16 177.44 1y8m h LEU 83 N 0.13 0.98 -0.75 3.88 3.38 0.49 0.23 115.31 123.65 1y8m h LEU 83 Ca 0.02 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1y8m h LEU 83 Cb 0.65 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1y8m h LEU 83 CO 0.05 1.10 0.48 0.74 0.09 0.00 0.00 178.44 180.90 1y8m h THR 84 N 0.87 1.14 -0.01 0.22 2.02 -1.17 0.80 112.91 116.77 1y8m h THR 84 Ca 0.14 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1y8m h THR 84 Cb 0.67 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1y8m h THR 84 CO 0.05 0.17 -0.03 0.40 0.37 0.00 0.00 175.52 176.49 1y8m h ILE 85 N 0.96 1.44 -0.18 3.11 2.04 -1.32 0.11 117.51 123.66 1y8m h ILE 85 Ca 0.29 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 1y8m h ILE 85 Cb -0.03 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1y8m h ILE 85 CO -0.09 0.35 0.04 1.23 0.00 0.00 0.00 178.15 179.68 1y8m h GLY 86 N -0.50 0.27 1.11 5.37 0.00 -0.29 -2.46 103.07 106.58 1y8m h GLY 86 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 47.33 46.94 1y8m h GLY 86 CO 0.01 0.12 -1.10 0.00 0.00 0.00 0.00 176.54 175.57 1y8m h TYR 88 N 0.17 0.00 0.00 0.00 5.03 -0.30 0.20 116.97 122.07 1y8m h TYR 88 Ca -0.16 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.08 1y8m h TYR 88 Cb 1.79 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.06 1y8m h TYR 88 CO 0.13 0.00 -0.31 0.87 -1.32 0.00 0.00 178.16 177.53 1y8m h LYS 89 N 0.00 0.00 -0.45 1.82 1.57 -1.53 -2.94 116.57 115.04 1y8m h LYS 89 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1y8m h LYS 89 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1y8m h LYS 89 CO -0.00 0.31 0.00 1.28 -0.57 0.00 0.00 179.45 180.46 1y8m n LEU 90 N -3.23 4.87 -1.61 2.94 4.77 0.57 -4.92 117.00 120.39 1y8m n LEU 90 Ca 0.02 -2.92 0.00 0.00 -0.03 0.00 0.00 56.01 53.08 1y8m n LEU 90 Cb 0.60 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1y8m n LEU 90 CO 0.37 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1y8m n GLY 91 N 0.19 -0.24 1.66 -0.72 0.00 -0.43 -4.66 105.19 101.00 1y8m n GLY 91 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.57 1.31 0.13 1.61 1.02 -1.03 -4.56 120.64 117.55 1y8m n GLU 92 Ca 0.00 -0.32 0.02 0.00 -0.02 0.00 0.00 57.16 56.85 1y8m n GLU 92 Cb 0.24 -1.32 0.12 0.00 -0.02 0.00 0.00 31.44 30.46 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 1.82 0.16 -0.21 -0.32 4.01 -1.26 -0.07 117.16 121.29 1y8m n TYR 93 Ca 0.14 0.08 -0.09 0.00 -0.16 0.00 0.00 57.90 57.87 1y8m n TYR 93 Cb 0.63 -0.26 0.02 0.00 -0.31 0.00 0.00 39.34 39.42 1y8m n TYR 93 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1y8m h SER 94 N 0.00 0.93 0.23 7.72 4.64 -1.97 0.78 113.55 125.88 1y8m h SER 94 Ca 0.00 -0.26 -0.30 0.00 -0.47 0.00 0.00 61.79 60.76 1y8m h SER 94 Cb 1.03 -0.25 0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1y8m h SER 94 CO 0.00 0.95 -1.26 0.24 -0.87 0.00 0.00 176.83 175.90 1y8m h MET 95 N 0.86 0.55 -0.39 4.77 2.86 -0.88 -2.92 114.93 119.78 1y8m h MET 95 Ca 0.18 -0.77 -0.00 0.00 -2.06 0.00 0.00 59.70 57.04 1y8m h MET 95 Cb 0.42 0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1y8m h MET 95 CO 0.01 1.35 0.24 0.00 1.06 0.00 0.00 176.91 179.57 1y8m h ALA 96 N 0.35 0.50 -0.14 6.32 0.00 -1.42 -1.75 119.26 123.12 1y8m h ALA 96 Ca -0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1y8m h ALA 96 Cb 1.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1y8m h ALA 96 CO 0.23 -0.01 0.07 -0.22 0.00 0.00 0.00 179.25 179.33 1y8m h LYS 97 N 0.52 0.19 -0.36 0.00 3.64 -0.89 -0.30 116.57 119.38 1y8m h LYS 97 Ca 0.14 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 1y8m h LYS 97 Cb -0.01 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1y8m h LYS 97 CO -0.03 0.22 -0.31 0.07 -2.27 0.00 0.00 179.45 177.13 1y8m h ARG 98 N 0.12 0.79 0.04 1.90 0.11 -1.42 -1.76 114.38 114.15 1y8m h ARG 98 Ca 0.05 -0.37 -0.00 0.00 0.10 0.00 0.00 59.98 59.76 1y8m h ARG 98 Cb 0.09 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1y8m h ARG 98 CO -0.01 0.99 -0.02 1.88 0.10 0.00 0.00 179.97 182.92 1y8m h TYR 99 N 0.66 -0.05 -0.59 4.08 0.05 -1.27 -2.72 116.97 117.13 1y8m h TYR 99 Ca 0.07 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.88 1y8m h TYR 99 Cb 0.85 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.58 1y8m h TYR 99 CO 0.05 0.52 0.39 -0.24 -1.05 0.00 0.00 178.16 177.83 1y8m h VAL 100 N -0.66 1.10 -0.46 -2.88 3.04 -1.10 -1.69 116.25 113.60 1y8m h VAL 100 Ca -0.01 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.42 1y8m h VAL 100 Cb 0.59 0.31 -0.02 0.00 -2.01 0.00 0.00 31.29 30.16 1y8m h VAL 100 CO 0.01 0.13 0.23 -0.78 -1.01 0.00 0.00 177.57 176.15 1y8m h ASP 101 N 0.73 0.59 -0.15 3.17 3.58 -1.31 0.50 116.42 123.53 1y8m h ASP 101 Ca 0.23 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.57 1y8m h ASP 101 Cb 0.02 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1y8m h ASP 101 CO -0.06 0.54 0.06 0.74 -2.88 0.00 0.00 179.24 177.64 1y8m h THR 102 N 0.59 0.97 -0.04 2.25 2.02 -0.99 -2.06 112.91 115.65 1y8m h THR 102 Ca 0.16 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1y8m h THR 102 Cb 0.10 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1y8m h THR 102 CO -0.02 0.02 0.00 0.25 0.37 0.00 0.00 175.52 176.15 1y8m h LEU 103 N 0.13 0.07 -1.99 2.58 5.85 -1.23 -2.68 115.31 118.05 1y8m h LEU 103 Ca 0.06 -0.30 0.17 0.00 0.84 0.00 0.00 57.88 58.66 1y8m h LEU 103 Cb 0.03 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1y8m h LEU 103 CO -0.06 0.35 0.49 0.15 -0.34 0.00 0.00 178.44 179.03 1y8m h PHE 104 N -0.21 0.00 -0.55 1.25 3.04 -0.77 -0.36 116.94 119.34 1y8m h PHE 104 Ca 0.01 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1y8m h PHE 104 Cb 0.31 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 1y8m h PHE 104 CO 0.03 0.00 0.27 1.49 -2.02 0.00 0.00 178.31 178.08 1y8m h GLU 105 N 0.00 0.79 -3.92 1.11 4.57 -1.01 -3.38 114.58 112.73 1y8m h GLU 105 Ca 0.28 -0.11 -0.61 0.00 -1.18 0.00 0.00 59.36 57.74 1y8m h GLU 105 Cb 1.25 -0.14 -0.40 0.00 -0.16 0.00 0.00 28.75 29.29 1y8m h GLU 105 CO -0.00 0.64 -0.74 -3.38 -1.18 0.00 0.00 179.01 174.34 1y8m s HIS 106 N -5.73 2.43 0.00 0.92 -3.43 -0.15 -5.08 115.29 104.25 1y8m s HIS 106 Ca -0.13 -2.20 0.00 0.00 -0.80 0.00 0.00 55.06 51.93 1y8m s HIS 106 Cb 0.12 -2.14 0.00 0.00 -1.43 0.00 0.00 32.58 29.13 1y8m s HIS 106 CO 0.77 -0.90 0.00 -1.91 -2.00 0.00 0.00 174.74 170.70 1y8m n GLU 107 N 4.59 0.00 0.00 -0.38 2.13 -1.25 -4.88 120.64 120.86 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 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 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 -1.15 5.31 1.74 -1.26 -5.05 116.66 116.25 1y8m n ARG 108 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1y8m n ARG 108 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 1y8m n ARG 108 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1y8m n ASN 109 N 0.00 -0.82 -4.63 0.55 5.15 -1.26 -5.09 115.26 109.15 1y8m n ASN 109 Ca 0.00 -2.01 -0.43 0.00 -0.60 0.00 0.00 54.58 51.54 1y8m n ASN 109 Cb 0.00 0.26 -0.03 0.00 -0.53 0.00 0.00 39.78 39.48 1y8m n ASN 109 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1y8m s ASN 110 N -1.12 6.19 0.02 1.20 0.02 -1.26 -4.81 114.94 115.19 1y8m s ASN 110 Ca 0.04 1.91 0.01 0.00 -1.02 0.00 0.00 52.86 53.79 1y8m s ASN 110 Cb 0.06 -2.53 0.04 0.00 0.02 0.00 0.00 41.25 38.85 1y8m s ASN 110 CO -0.02 -1.37 0.76 2.29 0.02 0.00 0.00 177.10 178.78 1y8m n LYS 111 N 7.88 0.01 0.07 -0.60 2.85 -1.26 -0.19 118.16 126.91 1y8m n LYS 111 Ca 0.21 0.25 -0.09 0.00 -1.05 0.00 0.00 58.31 57.64 1y8m n LYS 111 Cb 0.44 -1.80 0.04 0.00 -0.65 0.00 0.00 35.03 33.07 1y8m n LYS 111 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1y8m h GLN 112 N 0.00 0.33 0.02 -1.58 5.75 -1.98 -1.26 115.11 116.40 1y8m h GLN 112 Ca 0.00 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.23 1y8m h GLN 112 Cb 0.56 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1y8m h GLN 112 CO 0.00 0.92 -0.01 0.28 -2.65 0.00 0.00 178.83 177.37 1y8m h VAL 113 N 0.22 1.42 -0.72 2.39 2.07 -0.95 0.75 116.25 121.44 1y8m h VAL 113 Ca -0.03 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.10 1y8m h VAL 113 Cb 1.30 2.40 -0.05 0.00 -1.52 0.00 0.00 31.29 33.42 1y8m h VAL 113 CO 0.12 0.37 0.47 1.23 0.02 0.00 0.00 177.57 179.78 1y8m h GLY 114 N -0.68 0.93 1.46 2.17 0.00 -1.59 0.15 103.07 105.50 1y8m h GLY 114 Ca -0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 47.33 46.74 1y8m h GLY 114 CO 0.00 0.20 -1.31 0.00 0.00 0.00 0.00 176.54 175.43 1y8m h ALA 115 N 1.62 0.01 0.15 3.60 0.00 -1.15 -2.88 119.26 120.60 1y8m h ALA 115 Ca 0.32 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1y8m h ALA 115 Cb 0.32 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1y8m h ALA 115 CO -0.11 0.83 -0.07 1.25 0.00 0.00 0.00 179.25 181.15 1y8m h LEU 116 N 0.13 -0.18 -1.89 0.00 5.85 0.17 -2.34 115.31 117.06 1y8m h LEU 116 Ca -0.18 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1y8m h LEU 116 Cb 2.01 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 43.09 1y8m h LEU 116 CO 0.23 0.02 -0.09 0.07 -0.34 0.00 0.00 178.44 178.33 1y8m h LYS 117 N -0.36 0.00 -0.12 1.25 5.09 -1.13 -1.61 116.57 119.68 1y8m h LYS 117 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.71 1y8m h LYS 117 Cb 0.29 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.61 1y8m h LYS 117 CO 0.03 0.09 0.01 0.66 -2.09 0.00 0.00 179.45 178.16 1y8m h SER 118 N 0.00 0.15 -0.09 7.07 4.64 -1.19 0.12 113.55 124.25 1y8m h SER 118 Ca -0.00 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 1y8m h SER 118 Cb 0.16 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1y8m h SER 118 CO 0.01 0.17 -0.51 0.24 -0.87 0.00 0.00 176.83 175.87 1y8m h MET 119 N 0.17 0.50 0.20 4.77 2.86 -1.11 -0.23 114.93 122.09 1y8m h MET 119 Ca 0.04 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1y8m h MET 119 Cb 0.10 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1y8m h MET 119 CO 0.00 1.06 -0.10 0.28 1.06 0.00 0.00 176.91 179.21 1y8m h VAL 120 N 0.08 0.84 -0.17 -2.22 2.07 -1.33 0.45 116.25 115.98 1y8m h VAL 120 Ca -0.04 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 1y8m h VAL 120 Cb 1.17 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1y8m h VAL 120 CO 0.11 0.04 -0.45 -0.08 0.02 0.00 0.00 177.57 177.21 1y8m h GLU 121 N -0.36 0.41 -0.24 1.57 4.22 -0.85 -2.32 114.58 117.01 1y8m h GLU 121 Ca -0.03 -0.22 -0.12 0.00 0.08 0.00 0.00 59.36 59.07 1y8m h GLU 121 Cb 0.28 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1y8m h GLU 121 CO 0.05 0.78 -0.37 -0.44 -2.18 0.00 0.00 179.01 176.85 1y8m h ASP 122 N 0.33 0.56 0.46 1.04 5.19 -0.89 -1.94 116.42 121.18 1y8m h ASP 122 Ca 0.02 -0.24 -0.16 0.00 -0.62 0.00 0.00 57.03 56.03 1y8m h ASP 122 Cb 0.93 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1y8m h ASP 122 CO 0.08 0.89 -0.70 0.11 -3.12 0.00 0.00 179.24 176.50 1y8m h LYS 123 N 0.45 0.20 0.02 3.56 6.56 -0.71 0.47 116.57 127.12 1y8m h LYS 123 Ca 0.04 -0.16 -0.21 0.00 -1.06 0.00 0.00 60.65 59.26 1y8m h LYS 123 Cb 0.86 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.53 1y8m h LYS 123 CO 0.07 0.82 -0.97 0.82 -2.06 0.00 0.00 179.45 178.13 1y8m h ILE 124 N 0.14 1.61 0.03 1.86 2.04 -1.28 -2.40 117.51 119.51 1y8m h ILE 124 Ca -0.02 -3.06 -0.15 0.00 1.00 0.00 0.00 64.86 62.63 1y8m h ILE 124 Cb 1.24 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 40.02 1y8m h ILE 124 CO 0.11 0.88 -0.77 -0.61 0.00 0.00 0.00 178.15 177.76 1y8m h GLN 125 N 0.03 0.06 0.00 2.37 -0.00 -1.33 -3.34 115.11 112.91 1y8m h GLN 125 Ca -0.04 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1y8m h GLN 125 Cb 1.67 0.04 0.00 0.00 0.00 0.00 0.00 27.48 29.19 1y8m h GLN 125 CO 0.14 1.05 0.00 0.87 0.00 0.00 0.00 178.83 180.89 1y8m h LYS 126 N -0.83 0.00 0.00 1.69 1.79 -0.16 -2.80 116.57 116.25 1y8m h LYS 126 Ca -0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1y8m h LYS 126 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1y8m h LYS 126 CO -0.06 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.70 1y8m n GLU 127 N -2.62 0.00 0.00 3.15 1.02 -0.90 -4.68 120.64 116.61 1y8m n GLU 127 Ca 0.01 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1y8m n GLU 127 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1y8m n GLU 127 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1y8m n THR 128 N -1.49 0.00 -2.61 2.62 -1.04 -1.06 -4.07 114.28 106.62 1y8m n THR 128 Ca 0.02 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.85 1y8m n THR 128 Cb 0.09 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.61 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 -2.15 -1.60 -4.42 -0.00 -1.26 -4.64 117.00 102.93 1y8m n LEU 129 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1y8m n LEU 129 Cb 0.00 -2.49 0.00 0.00 -0.00 0.00 0.00 43.42 40.93 1y8m n LEU 129 CO 0.00 0.02 -0.49 1.17 -0.00 0.00 0.00 177.39 178.09 1y8m n LYS 130 N -3.04 -4.20 0.00 1.96 4.81 -1.26 -5.03 118.16 111.41 1y8m n LYS 130 Ca -0.14 3.26 0.00 0.00 -0.87 0.00 0.00 58.31 60.55 1y8m n LYS 130 Cb 0.62 -4.07 0.00 0.00 0.02 0.00 0.00 35.03 31.60 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 -2.60 -0.94 7.00 3.14 0.00 -1.26 -5.03 105.19 105.50 1y8m n GLY 131 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 -3.42 1.61 0.31 -1.26 -3.81 118.33 111.76 1y8m n VAL 132 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1y8m n VAL 132 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1y8m n VAL 132 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1y8m s VAL 133 N 0.00 -0.37 0.16 2.52 1.01 -1.26 -5.14 120.40 117.32 1y8m s VAL 133 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1y8m s VAL 133 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1y8m s VAL 133 CO 0.00 -0.46 0.08 0.68 0.00 0.00 0.00 175.10 175.40 1y8m s VAL 134 N 2.34 0.12 -0.44 2.92 -7.23 -1.25 -5.09 120.40 111.77 1y8m s VAL 134 Ca 0.09 -1.94 0.10 0.00 -1.81 0.00 0.00 61.98 58.42 1y8m s VAL 134 Cb -0.14 -2.20 0.36 0.00 0.56 0.00 0.00 36.38 34.95 1y8m s VAL 134 CO -0.31 -0.31 0.84 0.00 -0.31 0.00 0.00 175.10 175.00 1y8m n ALA 135 N -0.17 3.12 0.00 1.32 0.00 -1.26 -5.01 120.51 118.51 1y8m n ALA 135 Ca -0.03 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.57 1y8m n ALA 135 Cb 0.64 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 0.05 -0.89 0.00 0.00 0.00 -1.26 -5.18 105.19 97.91 1y8m n GLY 136 Ca 0.26 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.91 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 -1.02 3.61 -0.02 0.00 -1.26 -5.14 105.19 101.36 1y8m n GLY 137 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1y8m n GLY 137 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y8m s VAL 138 N -3.00 2.20 0.77 1.61 -7.23 -1.26 -4.98 120.40 108.51 1y8m s VAL 138 Ca 0.00 0.06 -0.13 0.00 -1.81 0.00 0.00 61.98 60.10 1y8m s VAL 138 Cb 0.00 -2.19 0.20 0.00 0.56 0.00 0.00 36.38 34.95 1y8m s VAL 138 CO 0.00 -0.08 0.47 1.41 -0.31 0.00 0.00 175.10 176.59 1y8m n HIS 139 N -4.41 -3.01 -1.11 2.82 8.25 -1.26 -4.99 115.22 111.51 1y8m n HIS 139 Ca 0.08 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1y8m n HIS 139 Cb 0.53 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1y8m n HIS 139 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1y8m n HIS 140 N -4.45 0.00 1.11 4.41 -0.00 -1.26 -4.79 115.22 110.24 1y8m n HIS 140 Ca 0.07 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.38 1y8m n HIS 140 Cb 0.32 0.01 0.61 0.00 -0.12 0.00 0.00 29.99 30.80 1y8m n HIS 140 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1y8m n HIS 141 N 0.00 0.00 -3.73 1.57 -0.00 -1.26 -4.86 115.22 106.94 1y8m n HIS 141 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1y8m n HIS 141 Cb 0.34 -0.33 0.01 0.00 -0.00 0.00 0.00 29.99 30.02 1y8m n HIS 141 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1y8m n HIS 142 N -1.33 -2.00 -3.39 1.57 -0.00 -1.26 -5.19 115.22 103.63 1y8m n HIS 142 Ca 0.11 -1.66 0.00 0.00 -0.00 0.00 0.00 57.72 56.17 1y8m n HIS 142 Cb 0.22 0.72 0.00 0.00 -0.00 0.00 0.00 29.99 30.93 1y8m n HIS 142 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1y8m n HIS 143 N -0.46 -0.58 0.40 -1.40 -0.00 -1.26 -4.99 115.22 106.93 1y8m n HIS 143 Ca -0.06 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1y8m n HIS 143 Cb 0.50 0.00 0.19 0.00 -0.00 0.00 0.00 29.99 30.68 1y8m n HIS 143 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92