#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 -1.64 2.03 5.66 -1.26 -4.96 114.28 114.11 1y8m n THR 2 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 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 1.17 -3.05 0.00 0.00 175.07 173.19 1y8m n LYS 3 N 0.00 0.00 0.00 1.09 3.00 -1.26 -5.01 118.16 115.98 1y8m n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1y8m n LYS 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1y8m n LYS 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1y8m n VAL 4 N 0.00 0.00 -2.32 3.15 0.31 -1.26 -4.69 118.33 113.52 1y8m n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1y8m n VAL 4 Cb 0.20 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1y8m n VAL 4 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1y8m n ASP 5 N 0.59 -8.99 -4.56 4.52 2.03 -1.26 -4.62 116.55 104.26 1y8m n ASP 5 Ca 0.00 1.79 -0.38 0.00 0.52 0.00 0.00 54.79 56.72 1y8m n ASP 5 Cb 0.00 -5.02 -0.03 0.00 -0.72 0.00 0.00 41.12 35.35 1y8m n ASP 5 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1y8m s PHE 6 N -0.56 1.13 0.56 -0.67 0.40 -1.26 -4.56 117.98 113.02 1y8m s PHE 6 Ca 0.00 1.28 0.00 0.00 -0.60 0.00 0.00 56.93 57.61 1y8m s PHE 6 Cb 0.00 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.84 1y8m s PHE 6 CO 0.00 -2.90 0.00 0.91 0.70 0.00 0.00 175.22 173.93 1y8m n TRP 7 N 14.72 -4.24 -0.40 0.36 8.01 -1.26 -4.87 117.44 129.76 1y8m n TRP 7 Ca 0.34 2.28 -0.28 0.00 -1.31 0.00 0.00 57.50 58.54 1y8m n TRP 7 Cb 0.52 -3.48 0.25 0.00 -2.01 0.00 0.00 31.31 26.59 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 -2.03 -3.45 -3.41 -0.99 -0.04 -1.26 -5.00 135.00 118.82 1y8m n PRO 8 Ca 0.00 -1.01 -0.23 0.00 -0.04 0.00 0.00 63.50 62.22 1y8m n PRO 8 Cb 0.31 -1.87 -0.01 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.19 5.00 0.38 0.52 -4.23 -1.26 -4.98 115.64 108.88 1y8m s THR 9 Ca 0.60 -0.53 0.12 0.00 -1.18 0.00 0.00 61.69 60.70 1y8m s THR 9 Cb -0.15 -3.82 0.11 0.00 1.34 0.00 0.00 72.50 69.99 1y8m s THR 9 CO 0.56 -0.51 1.85 0.25 -0.54 0.00 0.00 174.62 176.23 1y8m h LEU 10 N 0.77 0.06 -1.68 4.79 5.85 -1.98 -1.49 115.31 121.61 1y8m h LEU 10 Ca -0.50 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 1y8m h LEU 10 Cb 1.22 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1y8m h LEU 10 CO 0.61 0.37 -0.05 0.50 -0.34 0.00 0.00 178.44 179.53 1y8m h LYS 11 N 0.05 0.14 -0.30 1.25 3.64 -2.02 -0.60 116.57 118.72 1y8m h LYS 11 Ca 0.01 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1y8m h LYS 11 Cb 0.58 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1y8m h LYS 11 CO 0.04 0.20 0.32 0.22 -2.27 0.00 0.00 179.45 177.96 1y8m h ASP 12 N 0.14 0.00 0.01 4.20 3.58 -1.65 0.20 116.42 122.89 1y8m h ASP 12 Ca 0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 1y8m h ASP 12 Cb 0.18 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1y8m h ASP 12 CO 0.01 0.00 -0.00 0.00 -2.88 0.00 0.00 179.24 176.36 1y8m h ALA 13 N 1.64 1.76 -0.11 -0.78 0.00 -1.22 0.30 119.26 120.85 1y8m h ALA 13 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1y8m h ALA 13 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1y8m h ALA 13 CO -0.00 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1y8m n TYR 14 N -4.19 0.31 -3.69 0.00 4.02 0.71 -4.64 117.16 109.68 1y8m n TYR 14 Ca -0.03 -0.12 -0.38 0.00 -0.01 0.00 0.00 57.90 57.37 1y8m n TYR 14 Cb 0.09 -0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.18 1y8m n TYR 14 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1y8m s GLU 15 N -1.43 2.21 1.30 -0.72 -6.30 0.09 -5.09 118.70 108.77 1y8m s GLU 15 Ca 0.09 -1.85 -0.17 0.00 -2.50 0.00 0.00 54.97 50.54 1y8m s GLU 15 Cb 0.07 -3.72 0.33 0.00 0.00 0.00 0.00 34.13 30.81 1y8m s GLU 15 CO 0.03 -1.12 0.97 -2.14 0.02 0.00 0.00 175.26 173.02 1y8m s PRO 16 N 1.14 -2.02 0.18 4.30 0.02 -1.26 -4.92 135.00 132.44 1y8m s PRO 16 Ca 0.08 0.51 0.06 0.00 0.02 0.00 0.00 61.00 61.68 1y8m s PRO 16 Cb -0.24 -1.45 -0.04 0.00 0.02 0.00 0.00 34.50 32.79 1y8m s PRO 16 CO -0.03 -4.37 -0.13 -0.51 -0.33 0.00 0.00 177.00 171.63 1y8m s LEU 17 N -7.58 2.53 0.37 -5.54 1.43 -1.26 -5.08 118.68 103.55 1y8m s LEU 17 Ca 0.69 -0.99 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 1y8m s LEU 17 Cb -0.20 -0.56 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 1y8m s LEU 17 CO 0.62 -0.22 0.70 -0.31 0.23 0.00 0.00 176.35 177.37 1y8m s TYR 18 N -2.99 3.48 0.62 0.29 2.02 -1.26 -4.95 117.35 114.55 1y8m s TYR 18 Ca 0.19 0.89 0.34 0.00 -0.37 0.00 0.00 57.07 58.13 1y8m s TYR 18 Cb -0.00 -2.32 1.98 0.00 -0.40 0.00 0.00 41.96 41.22 1y8m s TYR 18 CO 0.04 -0.03 2.26 -1.00 -1.57 0.00 0.00 175.55 175.26 1y8m h PRO 19 N 1.32 0.00 0.00 -1.71 0.13 -2.01 -2.54 132.00 127.19 1y8m h PRO 19 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1y8m h PRO 19 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1y8m h PRO 19 CO 0.64 0.00 -0.00 0.37 -0.23 0.00 0.00 178.00 178.78 1y8m h GLN 20 N 0.00 -0.00 -0.69 0.86 4.15 -1.99 -2.71 115.11 114.73 1y8m h GLN 20 Ca 0.01 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.47 1y8m h GLN 20 Cb 0.08 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.73 1y8m h GLN 20 CO -0.00 0.75 0.42 1.96 -1.93 0.00 0.00 178.83 180.03 1y8m h GLN 21 N -0.77 0.79 0.00 1.69 1.08 -1.86 -0.49 115.11 115.55 1y8m h GLN 21 Ca -0.00 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1y8m h GLN 21 Cb 0.76 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1y8m h GLN 21 CO 0.00 0.52 -0.14 1.25 -0.95 0.00 0.00 178.83 179.51 1y8m h LEU 22 N 0.81 0.00 -0.55 1.46 5.85 -1.55 -1.61 115.31 119.73 1y8m h LEU 22 Ca 0.28 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.86 1y8m h LEU 22 Cb 0.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1y8m h LEU 22 CO -0.12 0.14 -0.69 -0.08 -0.34 0.00 0.00 178.44 177.34 1y8m h GLU 23 N 0.00 0.00 -0.42 1.25 4.81 -0.77 -2.97 114.58 116.48 1y8m h GLU 23 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1y8m h GLU 23 Cb 0.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1y8m h GLU 23 CO 0.02 0.69 0.12 0.82 -0.73 0.00 0.00 179.01 179.93 1y8m h ILE 24 N 0.00 1.22 -0.03 2.32 2.04 -0.57 0.48 117.51 122.97 1y8m h ILE 24 Ca -0.01 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 1y8m h ILE 24 Cb 1.27 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1y8m h ILE 24 CO 0.09 0.26 -0.27 -0.07 0.00 0.00 0.00 178.15 178.16 1y8m h LEU 25 N 0.53 0.05 0.09 1.44 3.38 -1.52 -2.07 115.31 117.22 1y8m h LEU 25 Ca 0.13 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.82 1y8m h LEU 25 Cb 0.27 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.03 1y8m h LEU 25 CO -0.00 0.32 -1.13 -0.09 0.09 0.00 0.00 178.44 177.63 1y8m h ARG 26 N 0.05 0.60 -0.63 1.13 2.43 -1.24 -2.55 114.38 114.17 1y8m h ARG 26 Ca 0.01 -0.77 0.07 0.00 -0.81 0.00 0.00 59.98 58.47 1y8m h ARG 26 Cb 0.50 0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 1y8m h ARG 26 CO 0.04 1.34 0.32 0.37 -1.51 0.00 0.00 179.97 180.53 1y8m h GLN 27 N 0.22 0.58 -0.41 0.20 4.15 0.30 0.44 115.11 120.58 1y8m h GLN 27 Ca -0.17 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.12 1y8m h GLN 27 Cb 1.81 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 29.35 1y8m h GLN 27 CO 0.22 0.38 -0.15 0.37 -1.93 0.00 0.00 178.83 177.72 1y8m h GLN 28 N 0.59 0.76 0.11 1.69 5.75 -1.42 0.57 115.11 123.16 1y8m h GLN 28 Ca 0.29 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1y8m h GLN 28 Cb 0.23 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1y8m h GLN 28 CO -0.21 0.87 -0.05 0.28 -2.65 0.00 0.00 178.83 177.07 1y8m h VAL 29 N 0.68 1.11 -0.54 2.39 2.07 -0.78 -2.33 116.25 118.85 1y8m h VAL 29 Ca 0.11 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 1y8m h VAL 29 Cb 0.63 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1y8m h VAL 29 CO 0.04 0.24 0.07 0.58 0.02 0.00 0.00 177.57 178.52 1y8m h VAL 30 N -0.64 1.26 -0.15 2.57 2.07 -0.14 0.60 116.25 121.82 1y8m h VAL 30 Ca -0.01 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1y8m h VAL 30 Cb 0.50 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1y8m h VAL 30 CO 0.02 0.36 0.09 -1.28 0.02 0.00 0.00 177.57 176.78 1y8m h SER 31 N 0.79 0.17 0.75 0.57 0.87 0.11 -0.08 113.55 116.73 1y8m h SER 31 Ca 0.16 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1y8m h SER 31 Cb 0.43 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1y8m h SER 31 CO 0.01 0.13 -0.10 -0.62 -0.53 0.00 0.00 176.83 175.73 1y8m n GLU 32 N -4.51 0.18 0.00 2.24 -0.58 -0.88 -4.84 120.64 112.25 1y8m n GLU 32 Ca -0.01 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1y8m n GLU 32 Cb 0.09 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 1.43 1.04 7.00 0.62 0.00 -0.05 -4.39 105.19 110.83 1y8m n GLY 33 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1y8m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8m n GLY 34 N 0.00 2.18 0.37 -0.02 0.00 0.21 -3.66 105.19 104.25 1y8m n GLY 34 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 1.00 0.00 1.61 0.11 -1.95 0.23 132.00 133.00 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 0.66 0.00 0.25 -0.21 0.00 0.00 178.00 178.70 1y8m n THR 36 N -4.60 0.00 -1.32 -1.15 -2.24 -1.24 -4.81 114.28 98.92 1y8m n THR 36 Ca 0.18 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.65 1y8m n THR 36 Cb 0.33 -0.23 0.08 0.00 -2.10 0.00 0.00 70.33 68.41 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 2.33 1.28 6.98 0.00 0.81 -4.80 121.76 126.36 1y8m s ALA 37 Ca 0.01 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 1y8m s ALA 37 Cb 0.00 -3.26 0.32 0.00 0.00 0.00 0.00 23.12 20.19 1y8m s ALA 37 CO 0.01 -1.67 0.99 0.95 0.00 0.00 0.00 175.76 176.04 1y8m s THR 38 N -2.91 1.68 0.02 0.00 -4.23 -1.26 -4.86 115.64 104.08 1y8m s THR 38 Ca 0.61 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.92 1y8m s THR 38 Cb -0.17 -2.07 -0.19 0.00 1.34 0.00 0.00 72.50 71.41 1y8m s THR 38 CO 0.55 0.00 1.20 0.40 -0.54 0.00 0.00 174.62 176.23 1y8m h ILE 39 N -2.98 1.40 -0.11 2.99 1.08 -1.97 -3.07 117.51 114.86 1y8m h ILE 39 Ca -0.55 -1.80 0.03 0.00 -0.39 0.00 0.00 64.86 62.15 1y8m h ILE 39 Cb 1.34 2.30 -0.00 0.00 -3.07 0.00 0.00 36.82 37.38 1y8m h ILE 39 CO 0.42 0.53 0.09 1.56 -0.69 0.00 0.00 178.15 180.06 1y8m h GLN 40 N -0.04 0.00 -0.08 2.37 4.20 -1.99 0.18 115.11 119.76 1y8m h GLN 40 Ca -0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1y8m h GLN 40 Cb 1.07 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1y8m h GLN 40 CO 0.09 0.00 -0.07 0.77 -0.67 0.00 0.00 178.83 178.94 1y8m h SER 41 N 0.00 0.20 0.43 1.46 0.02 -1.89 -3.03 113.55 110.74 1y8m h SER 41 Ca 0.05 -0.48 -0.21 0.00 -0.84 0.00 0.00 61.79 60.31 1y8m h SER 41 Cb 0.24 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1y8m h SER 41 CO -0.00 0.64 -0.87 0.03 -1.14 0.00 0.00 176.83 175.49 1y8m h ARG 42 N -0.24 0.31 -0.39 3.45 3.08 -1.35 -2.93 114.38 116.31 1y8m h ARG 42 Ca 0.01 -0.32 0.08 0.00 0.07 0.00 0.00 59.98 59.82 1y8m h ARG 42 Cb 0.58 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.64 1y8m h ARG 42 CO 0.02 1.01 -0.12 0.35 -1.07 0.00 0.00 179.97 180.16 1y8m h PHE 43 N 0.18 -0.28 -0.38 3.04 3.57 -0.69 -0.22 116.94 122.16 1y8m h PHE 43 Ca -0.06 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 1y8m h PHE 43 Cb 1.49 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.41 1y8m h PHE 43 CO 0.04 -0.20 -0.35 -0.91 -2.23 0.00 0.00 178.31 174.66 1y8m h ASN 44 N -0.04 0.97 -0.87 0.41 2.35 -1.58 -2.65 115.58 114.18 1y8m h ASN 44 Ca 0.19 -0.46 0.10 0.00 -0.55 0.00 0.00 56.30 55.58 1y8m h ASN 44 Cb 0.32 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.36 1y8m h ASN 44 CO -0.42 1.23 0.56 0.22 -1.65 0.00 0.00 177.43 177.37 1y8m h TYR 45 N 0.73 0.91 -0.01 1.19 3.20 -1.14 0.29 116.97 122.14 1y8m h TYR 45 Ca 0.06 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.81 1y8m h TYR 45 Cb 0.95 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1y8m h TYR 45 CO 0.06 0.41 -0.68 0.00 -1.64 0.00 0.00 178.16 176.31 1y8m h ALA 46 N 1.57 0.85 -0.15 1.82 0.00 -0.92 -3.03 119.26 119.40 1y8m h ALA 46 Ca 0.41 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1y8m h ALA 46 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1y8m h ALA 46 CO -0.17 0.84 0.00 2.35 0.00 0.00 0.00 179.25 182.27 1y8m h TRP 47 N 0.03 0.29 -0.85 0.00 2.91 -0.61 -2.65 115.95 115.08 1y8m h TRP 47 Ca -0.01 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 1y8m h TRP 47 Cb 1.21 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.74 1y8m h TRP 47 CO 0.01 0.48 0.48 0.78 -1.03 0.00 0.00 178.44 179.16 1y8m h GLY 48 N 0.02 1.26 2.00 2.65 0.00 -1.37 -1.44 103.07 106.18 1y8m h GLY 48 Ca 0.04 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1y8m h GLY 48 CO 0.01 0.53 -0.14 1.41 0.00 0.00 0.00 176.54 178.34 1y8m h LEU 49 N 1.18 0.00 -0.45 3.11 3.38 -1.40 -1.80 115.31 119.33 1y8m h LEU 49 Ca 0.30 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 1y8m h LEU 49 Cb -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1y8m h LEU 49 CO -0.05 0.14 -0.71 0.40 0.09 0.00 0.00 178.44 178.30 1y8m h ILE 50 N 0.00 1.42 0.00 1.22 2.04 -0.91 -2.90 117.51 118.39 1y8m h ILE 50 Ca -0.00 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.34 1y8m h ILE 50 Cb 0.28 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1y8m h ILE 50 CO 0.02 0.70 0.00 0.29 0.00 0.00 0.00 178.15 179.16 1y8m n LYS 51 N -3.56 0.14 -0.97 2.37 5.02 -0.69 -4.80 118.16 115.67 1y8m n LYS 51 Ca -0.00 0.26 -0.32 0.00 -2.02 0.00 0.00 58.31 56.23 1y8m n LYS 51 Cb 0.73 -1.71 0.14 0.00 -0.02 0.00 0.00 35.03 34.17 1y8m n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1y8m s SER 52 N -3.84 3.37 -0.01 4.39 0.01 -1.10 -4.48 113.70 112.04 1y8m s SER 52 Ca 0.08 2.28 0.06 0.00 1.31 0.00 0.00 55.95 59.68 1y8m s SER 52 Cb 0.12 -2.58 -0.24 0.00 0.21 0.00 0.00 66.02 63.53 1y8m s SER 52 CO 0.44 -2.81 0.80 0.71 0.41 0.00 0.00 173.24 172.79 1y8m h THR 53 N -1.27 1.07 -4.09 1.44 1.35 -1.89 -3.47 112.91 106.06 1y8m h THR 53 Ca -0.45 -2.83 -0.47 0.00 -0.55 0.00 0.00 66.41 62.11 1y8m h THR 53 Cb 1.28 2.59 0.03 0.00 -1.73 0.00 0.00 68.15 70.33 1y8m h THR 53 CO 0.45 0.70 0.39 -0.62 -0.25 0.00 0.00 175.52 176.18 1y8m s ASP 54 N -6.52 6.26 0.27 5.36 2.15 -1.26 -4.94 116.67 117.99 1y8m s ASP 54 Ca -0.06 1.92 0.25 0.00 0.43 0.00 0.00 52.55 55.09 1y8m s ASP 54 Cb 0.08 -2.56 0.70 0.00 -0.30 0.00 0.00 42.92 40.84 1y8m s ASP 54 CO 0.83 -0.84 1.74 1.62 -0.17 0.00 0.00 175.17 178.34 1y8m h VAL 55 N 1.40 0.00 -0.06 1.11 3.04 -1.97 -3.28 116.25 116.49 1y8m h VAL 55 Ca -0.49 -0.61 -0.00 0.00 -1.01 0.00 0.00 66.70 64.59 1y8m h VAL 55 Cb 1.22 1.60 -0.00 0.00 -2.01 0.00 0.00 31.29 32.10 1y8m h VAL 55 CO 0.59 0.00 0.03 -1.13 -1.01 0.00 0.00 177.57 176.05 1y8m h ASN 56 N 0.00 0.07 0.27 3.17 -0.73 -1.97 -1.32 115.58 115.07 1y8m h ASN 56 Ca 0.00 -0.05 -0.12 0.00 1.87 0.00 0.00 56.30 58.00 1y8m h ASN 56 Cb 0.80 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.36 1y8m h ASN 56 CO 0.00 0.10 -0.47 0.44 -0.37 0.00 0.00 177.43 177.12 1y8m h ASP 57 N 0.03 0.26 -0.41 1.15 5.19 -1.84 -2.83 116.42 117.98 1y8m h ASP 57 Ca 0.02 -0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.24 1y8m h ASP 57 Cb 0.04 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 1y8m h ASP 57 CO -0.00 0.70 0.02 -0.33 -3.12 0.00 0.00 179.24 176.51 1y8m h GLU 58 N 0.20 0.79 0.00 3.56 5.08 -1.50 -1.82 114.58 120.89 1y8m h GLU 58 Ca 0.01 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1y8m h GLU 58 Cb 0.91 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1y8m h GLU 58 CO 0.07 0.78 -0.37 0.00 -1.00 0.00 0.00 179.01 178.50 1y8m h ARG 59 N 0.74 0.00 -0.01 2.33 3.08 -1.08 -2.68 114.38 116.76 1y8m h ARG 59 Ca 0.15 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.97 1y8m h ARG 59 Cb 0.42 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.49 1y8m h ARG 59 CO 0.02 0.37 -0.88 1.25 -1.07 0.00 0.00 179.97 179.66 1y8m h LEU 60 N 0.00 0.79 -0.54 3.04 5.85 -1.16 -3.01 115.31 120.28 1y8m h LEU 60 Ca -0.00 -0.74 -0.05 0.00 0.84 0.00 0.00 57.88 57.93 1y8m h LEU 60 Cb 0.94 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1y8m h LEU 60 CO 0.05 1.42 0.15 1.23 -0.34 0.00 0.00 178.44 180.95 1y8m h GLY 61 N 0.24 0.92 0.69 3.75 0.00 -1.29 -2.40 103.07 104.98 1y8m h GLY 61 Ca -0.11 -0.56 0.04 0.00 0.00 0.00 0.00 47.33 46.70 1y8m h GLY 61 CO 0.17 0.52 0.07 -2.08 0.00 0.00 0.00 176.54 175.22 1y8m h VAL 62 N 0.76 0.88 -0.87 4.60 2.07 -1.53 0.57 116.25 122.73 1y8m h VAL 62 Ca 0.17 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1y8m h VAL 62 Cb 0.31 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1y8m h VAL 62 CO -0.00 0.03 0.57 0.50 0.02 0.00 0.00 177.57 178.69 1y8m h LYS 63 N 0.18 1.06 -0.12 1.57 3.64 -1.37 -1.15 116.57 120.37 1y8m h LYS 63 Ca 0.13 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1y8m h LYS 63 Cb 0.13 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1y8m h LYS 63 CO -0.17 0.70 -0.03 0.82 -2.27 0.00 0.00 179.45 178.50 1y8m h ILE 64 N 1.09 1.29 -0.18 2.00 2.04 -0.80 -1.18 117.51 121.78 1y8m h ILE 64 Ca 0.34 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.28 1y8m h ILE 64 Cb 0.01 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1y8m h ILE 64 CO -0.10 0.28 0.14 -0.07 0.00 0.00 0.00 178.15 178.40 1y8m h LEU 65 N -0.08 0.00 0.00 1.44 3.38 -0.37 0.17 115.31 119.85 1y8m h LEU 65 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1y8m h LEU 65 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1y8m h LEU 65 CO 0.01 0.00 -0.90 0.74 0.09 0.00 0.00 178.44 178.39 1y8m h THR 66 N 0.00 1.20 -0.02 0.22 2.02 -0.89 -1.75 112.91 113.69 1y8m h THR 66 Ca 0.08 -2.76 -0.08 0.00 0.77 0.00 0.00 66.41 64.42 1y8m h THR 66 Cb 0.36 2.57 0.01 0.00 -1.74 0.00 0.00 68.15 69.35 1y8m h THR 66 CO -0.00 0.69 -0.31 0.44 0.37 0.00 0.00 175.52 176.71 1y8m h ASP 67 N 0.00 0.30 -0.25 4.18 3.32 0.30 -2.48 116.42 121.78 1y8m h ASP 67 Ca -0.04 -0.74 -0.03 0.00 0.02 0.00 0.00 57.03 56.24 1y8m h ASP 67 Cb 1.62 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 41.06 1y8m h ASP 67 CO 0.09 0.99 0.08 0.40 -1.72 0.00 0.00 179.24 179.08 1y8m h ILE 68 N -0.37 1.16 -0.46 0.35 2.04 -0.84 -0.14 117.51 119.24 1y8m h ILE 68 Ca -0.03 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1y8m h ILE 68 Cb 1.03 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1y8m h ILE 68 CO 0.06 0.20 0.21 0.22 0.00 0.00 0.00 178.15 178.84 1y8m h TYR 69 N 0.47 0.68 -0.00 1.37 5.03 -1.24 1.31 116.97 124.59 1y8m h TYR 69 Ca 0.11 -0.04 -0.18 0.00 2.58 0.00 0.00 58.73 61.20 1y8m h TYR 69 Cb 0.19 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 1y8m h TYR 69 CO 0.01 0.56 -0.83 0.87 -1.32 0.00 0.00 178.16 177.45 1y8m h LYS 70 N 0.61 0.12 0.00 1.82 1.57 -0.91 -3.32 116.57 116.46 1y8m h LYS 70 Ca 0.16 -0.13 -0.32 0.00 -1.87 0.00 0.00 60.65 58.49 1y8m h LYS 70 Cb 0.15 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 1y8m h LYS 70 CO -0.02 0.88 -1.96 -1.91 -0.57 0.00 0.00 179.45 175.88 1y8m n GLU 71 N -3.64 0.65 -0.69 3.15 2.13 -0.13 -4.94 120.64 117.17 1y8m n GLU 71 Ca -0.02 0.18 -0.05 0.00 0.66 0.00 0.00 57.16 57.92 1y8m n GLU 71 Cb 0.78 -1.69 0.03 0.00 0.27 0.00 0.00 31.44 30.83 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1y8m n ALA 72 N -2.62 -0.14 -2.00 4.31 0.00 0.45 -5.06 120.51 115.45 1y8m n ALA 72 Ca -0.23 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1y8m n ALA 72 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.56 1y8m n ALA 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1y8m n GLU 73 N -1.48 0.00 -0.34 0.00 2.13 -1.26 -4.85 120.64 114.84 1y8m n GLU 73 Ca 0.03 0.00 0.27 0.00 0.66 0.00 0.00 57.16 58.13 1y8m n GLU 73 Cb 0.12 0.00 0.44 0.00 0.27 0.00 0.00 31.44 32.27 1y8m n GLU 73 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1y8m n SER 74 N 0.00 0.08 -0.95 4.31 2.88 -1.26 0.26 113.62 118.94 1y8m n SER 74 Ca 0.00 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1y8m n SER 74 Cb 0.00 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1y8m n SER 74 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1y8m n ARG 75 N -3.63 0.91 0.01 -1.46 3.00 -1.26 -3.90 116.66 110.33 1y8m n ARG 75 Ca 0.25 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.92 1y8m n ARG 75 Cb 1.05 -1.08 -0.12 0.00 0.00 0.00 0.00 32.46 32.31 1y8m n ARG 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1y8m h ARG 76 N 0.17 0.34 -0.40 5.56 2.43 0.31 -2.87 114.38 119.92 1y8m h ARG 76 Ca 0.00 -0.40 0.04 0.00 -0.81 0.00 0.00 59.98 58.81 1y8m h ARG 76 Cb 0.87 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 1y8m h ARG 76 CO 0.00 1.10 0.16 0.00 -1.51 0.00 0.00 179.97 179.72 1y8m h ARG 77 N -0.24 0.32 -0.46 0.20 -0.00 -1.82 0.74 114.38 113.11 1y8m h ARG 77 Ca -0.08 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.36 1y8m h ARG 77 Cb 1.33 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 31.20 1y8m h ARG 77 CO 0.11 0.21 0.19 0.93 0.00 0.00 0.00 179.97 181.41 1y8m h GLU 78 N 0.33 0.65 0.00 0.04 3.07 -1.84 -2.36 114.58 114.46 1y8m h GLU 78 Ca 0.18 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1y8m h GLU 78 Cb 0.15 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1y8m h GLU 78 CO -0.17 0.53 -0.00 0.00 -1.40 0.00 0.00 179.01 177.96 1y8m h LEU 80 N -0.52 0.77 -0.02 0.00 3.38 -0.73 0.57 115.31 118.75 1y8m h LEU 80 Ca -0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1y8m h LEU 80 Cb 0.52 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1y8m h LEU 80 CO 0.00 0.41 -0.03 0.22 0.09 0.00 0.00 178.44 179.13 1y8m h TYR 81 N 0.85 0.07 -0.34 1.13 3.20 -1.41 -2.70 116.97 117.77 1y8m h TYR 81 Ca 0.45 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.25 1y8m h TYR 81 Cb 0.47 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1y8m h TYR 81 CO -0.04 0.56 -0.01 1.88 -1.64 0.00 0.00 178.16 178.91 1y8m h TYR 82 N -0.45 0.55 -0.33 -3.82 -1.99 -0.62 -2.27 116.97 108.04 1y8m h TYR 82 Ca 0.00 -0.06 -0.08 0.00 2.00 0.00 0.00 58.73 60.59 1y8m h TYR 82 Cb 0.56 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 1y8m h TYR 82 CO 0.11 0.55 -0.15 -0.07 -0.00 0.00 0.00 178.16 178.60 1y8m h LEU 83 N 0.50 0.56 -0.70 3.88 3.38 0.13 0.93 115.31 124.00 1y8m h LEU 83 Ca 0.11 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1y8m h LEU 83 Cb 0.35 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1y8m h LEU 83 CO 0.01 0.74 0.19 0.74 0.09 0.00 0.00 178.44 180.21 1y8m h THR 84 N 0.52 1.26 0.09 0.22 2.02 -1.07 0.18 112.91 116.13 1y8m h THR 84 Ca 0.09 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1y8m h THR 84 Cb 0.56 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1y8m h THR 84 CO 0.04 0.36 -0.04 0.40 0.37 0.00 0.00 175.52 176.64 1y8m h ILE 85 N 1.04 1.11 -0.02 3.11 2.04 -1.15 -0.93 117.51 122.72 1y8m h ILE 85 Ca 0.22 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1y8m h ILE 85 Cb 0.34 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1y8m h ILE 85 CO -0.00 0.30 0.01 1.23 0.00 0.00 0.00 178.15 179.69 1y8m h GLY 86 N -0.80 0.02 1.56 5.37 0.00 -0.82 -1.71 103.07 106.70 1y8m h GLY 86 Ca -0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 47.33 47.05 1y8m h GLY 86 CO 0.02 0.01 -1.11 0.00 0.00 0.00 0.00 176.54 175.45 1y8m h TYR 88 N 0.16 0.00 0.00 0.00 3.20 -0.21 0.21 116.97 120.33 1y8m h TYR 88 Ca -0.12 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 1y8m h TYR 88 Cb 1.79 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.06 1y8m h TYR 88 CO 0.07 0.00 -0.27 0.87 -1.64 0.00 0.00 178.16 177.19 1y8m h LYS 89 N 0.00 0.00 -0.63 1.82 1.57 -1.52 -2.76 116.57 115.05 1y8m h LYS 89 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1y8m h LYS 89 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1y8m h LYS 89 CO -0.00 0.27 0.00 1.28 -0.57 0.00 0.00 179.45 180.43 1y8m n LEU 90 N -3.29 5.16 -2.00 2.94 4.77 0.02 -4.91 117.00 119.69 1y8m n LEU 90 Ca 0.01 -2.61 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 1y8m n LEU 90 Cb 0.54 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1y8m n LEU 90 CO 0.35 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 1y8m n GLY 91 N 0.90 -0.37 2.25 -0.72 0.00 -0.95 -4.68 105.19 101.62 1y8m n GLY 91 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.92 2.16 0.17 1.61 -0.58 -1.17 -4.68 120.64 116.24 1y8m n GLU 92 Ca 0.00 -1.90 0.03 0.00 -0.42 0.00 0.00 57.16 54.87 1y8m n GLU 92 Cb 0.37 -1.97 0.18 0.00 -0.57 0.00 0.00 31.44 29.45 1y8m n GLU 92 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1y8m h TYR 93 N 2.58 0.00 -0.47 -0.32 0.05 -1.83 0.21 116.97 117.19 1y8m h TYR 93 Ca 0.33 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.01 1y8m h TYR 93 Cb 0.89 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.61 1y8m h TYR 93 CO 1.32 0.00 -0.10 1.03 -1.05 0.00 0.00 178.16 179.36 1y8m h SER 94 N 0.00 0.84 0.00 3.88 0.87 -1.97 -1.33 113.55 115.84 1y8m h SER 94 Ca 0.00 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.23 1y8m h SER 94 Cb 1.11 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1y8m h SER 94 CO 0.00 0.96 -0.29 0.24 -0.53 0.00 0.00 176.83 177.21 1y8m h MET 95 N 0.77 0.20 -0.82 2.24 2.86 -0.97 -3.12 114.93 116.08 1y8m h MET 95 Ca 0.13 -0.21 0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1y8m h MET 95 Cb 0.60 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.24 1y8m h MET 95 CO 0.04 0.94 0.46 0.00 1.06 0.00 0.00 176.91 179.41 1y8m h ALA 96 N 0.26 1.17 0.16 6.32 0.00 -1.56 -2.15 119.26 123.47 1y8m h ALA 96 Ca -0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1y8m h ALA 96 Cb 1.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1y8m h ALA 96 CO 0.06 0.06 -0.29 -0.22 0.00 0.00 0.00 179.25 178.85 1y8m h LYS 97 N 0.75 -0.51 -0.97 0.00 3.64 -1.26 0.21 116.57 118.42 1y8m h LYS 97 Ca 0.40 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1y8m h LYS 97 Cb 0.41 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1y8m h LYS 97 CO -0.27 -0.34 0.61 -0.09 -2.27 0.00 0.00 179.45 177.09 1y8m h ARG 98 N -0.53 1.30 0.00 1.90 2.43 -1.38 -0.73 114.38 117.38 1y8m h ARG 98 Ca 0.02 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1y8m h ARG 98 Cb 0.54 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1y8m h ARG 98 CO -0.14 0.89 -0.00 1.88 -1.51 0.00 0.00 179.97 181.08 1y8m h TYR 99 N 1.33 -0.00 -0.47 2.20 0.05 -1.04 -2.88 116.97 116.16 1y8m h TYR 99 Ca 0.35 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.11 1y8m h TYR 99 Cb -0.10 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 1y8m h TYR 99 CO 0.00 0.66 0.22 -0.24 -1.05 0.00 0.00 178.16 177.75 1y8m h VAL 100 N -0.66 1.16 0.16 -2.88 3.04 -0.55 -1.99 116.25 114.54 1y8m h VAL 100 Ca -0.00 -0.47 -0.01 0.00 -1.01 0.00 0.00 66.70 65.22 1y8m h VAL 100 Cb 0.66 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1y8m h VAL 100 CO 0.00 0.19 -0.08 0.44 -1.01 0.00 0.00 177.57 177.11 1y8m h ASP 101 N 0.66 -0.19 -0.55 3.17 3.32 -1.15 1.03 116.42 122.70 1y8m h ASP 101 Ca 0.16 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1y8m h ASP 101 Cb 0.08 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1y8m h ASP 101 CO -0.02 -0.10 0.30 0.74 -1.72 0.00 0.00 179.24 178.44 1y8m h THR 102 N -0.26 0.99 -0.04 0.35 2.02 -1.25 0.36 112.91 115.08 1y8m h THR 102 Ca -0.02 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1y8m h THR 102 Cb 0.20 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1y8m h THR 102 CO 0.04 0.11 -0.03 0.25 0.37 0.00 0.00 175.52 176.25 1y8m h LEU 103 N 0.58 0.10 -2.06 2.58 5.85 -1.04 -2.65 115.31 118.67 1y8m h LEU 103 Ca 0.24 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1y8m h LEU 103 Cb 0.11 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1y8m h LEU 103 CO -0.15 0.53 0.10 0.15 -0.34 0.00 0.00 178.44 178.73 1y8m h PHE 104 N -0.33 0.00 -0.29 1.25 3.04 0.14 -1.11 116.94 119.64 1y8m h PHE 104 Ca 0.01 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.88 1y8m h PHE 104 Cb 0.50 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 1y8m h PHE 104 CO 0.08 0.00 -0.14 0.93 -2.02 0.00 0.00 178.31 177.16 1y8m h GLU 105 N 0.00 0.61 0.00 1.11 5.08 -0.75 -2.98 114.58 117.65 1y8m h GLU 105 Ca 0.06 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1y8m h GLU 105 Cb 0.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1y8m h GLU 105 CO -0.00 0.84 0.42 1.58 -1.00 0.00 0.00 179.01 180.85 1y8m n HIS 106 N -4.41 0.04 -2.30 4.33 -0.00 -0.42 -4.85 115.22 107.60 1y8m n HIS 106 Ca -0.03 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1y8m n HIS 106 Cb 0.37 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 30.09 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 -1.28 0.00 0.00 1.57 2.13 -1.13 -4.97 120.64 116.97 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 12.68 0.00 -1.44 5.31 5.12 -1.26 -4.64 116.66 132.43 1y8m n ARG 108 Ca 0.00 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 1y8m n ARG 108 Cb 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.32 1y8m n ARG 108 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1y8m n ASN 109 N -0.93 -1.23 0.00 0.55 2.04 -1.26 -4.87 115.26 109.56 1y8m n ASN 109 Ca 0.00 0.81 0.00 0.00 -0.44 0.00 0.00 54.58 54.95 1y8m n ASN 109 Cb 0.00 -1.11 0.00 0.00 -2.53 0.00 0.00 39.78 36.14 1y8m n ASN 109 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1y8m n ASN 110 N 1.07 0.00 0.07 0.53 5.15 -1.26 -4.82 115.26 116.01 1y8m n ASN 110 Ca 0.11 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.97 1y8m n ASN 110 Cb 0.44 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.63 1y8m n ASN 110 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1y8m h LYS 111 N 0.00 -0.48 0.00 1.20 1.79 -1.98 2.90 116.57 120.01 1y8m h LYS 111 Ca 0.00 0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.39 1y8m h LYS 111 Cb 0.00 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1y8m h LYS 111 CO 0.00 -0.32 -0.51 1.96 -1.08 0.00 0.00 179.45 179.50 1y8m h GLN 112 N -0.49 0.00 0.08 3.15 7.50 -1.99 -2.67 115.11 120.67 1y8m h GLN 112 Ca 0.05 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.05 1y8m h GLN 112 Cb 0.57 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.12 1y8m h GLN 112 CO -0.26 0.51 -0.67 0.28 -1.50 0.00 0.00 178.83 177.20 1y8m h VAL 113 N 0.00 1.50 -0.69 -0.54 2.07 -1.71 -1.35 116.25 115.53 1y8m h VAL 113 Ca -0.01 -2.32 0.10 0.00 0.82 0.00 0.00 66.70 65.29 1y8m h VAL 113 Cb 1.04 2.96 -0.04 0.00 -1.52 0.00 0.00 31.29 33.73 1y8m h VAL 113 CO 0.07 0.66 0.46 1.23 0.02 0.00 0.00 177.57 180.00 1y8m h GLY 114 N -0.30 0.79 0.33 2.17 0.00 0.52 0.93 103.07 107.51 1y8m h GLY 114 Ca -0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1y8m h GLY 114 CO 0.13 0.13 -0.19 0.00 0.00 0.00 0.00 176.54 176.62 1y8m h ALA 115 N 1.65 0.01 -0.29 3.60 0.00 -1.47 -1.85 119.26 120.91 1y8m h ALA 115 Ca 0.32 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1y8m h ALA 115 Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1y8m h ALA 115 CO -0.10 0.04 0.17 1.25 0.00 0.00 0.00 179.25 180.61 1y8m h LEU 116 N -0.64 0.35 -1.97 0.00 5.85 -0.45 -1.00 115.31 117.43 1y8m h LEU 116 Ca -0.03 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1y8m h LEU 116 Cb 0.99 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1y8m h LEU 116 CO 0.04 0.29 0.12 0.50 -0.34 0.00 0.00 178.44 179.05 1y8m h LYS 117 N 0.37 0.03 0.00 1.25 3.64 0.80 -0.14 116.57 122.52 1y8m h LYS 117 Ca 0.10 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1y8m h LYS 117 Cb 0.01 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1y8m h LYS 117 CO -0.02 0.02 -0.19 1.03 -2.27 0.00 0.00 179.45 178.02 1y8m h SER 118 N 0.03 0.00 -0.11 4.20 0.87 -0.30 0.21 113.55 118.46 1y8m h SER 118 Ca 0.08 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 1y8m h SER 118 Cb 0.27 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1y8m h SER 118 CO -0.00 0.19 -0.47 0.24 -0.53 0.00 0.00 176.83 176.26 1y8m h MET 119 N 0.00 0.50 -0.18 2.24 2.86 -0.80 0.08 114.93 119.62 1y8m h MET 119 Ca -0.00 -0.40 -0.05 0.00 -2.06 0.00 0.00 59.70 57.19 1y8m h MET 119 Cb 0.45 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1y8m h MET 119 CO 0.02 1.03 -0.07 0.28 1.06 0.00 0.00 176.91 179.23 1y8m h VAL 120 N 0.09 1.30 -0.21 -2.22 2.07 -1.37 -1.47 116.25 114.44 1y8m h VAL 120 Ca -0.03 -1.10 -0.17 0.00 0.82 0.00 0.00 66.70 66.22 1y8m h VAL 120 Cb 1.11 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1y8m h VAL 120 CO 0.10 0.33 -0.54 -0.33 0.02 0.00 0.00 177.57 177.14 1y8m h GLU 121 N 0.07 0.64 -0.43 1.57 5.08 -0.64 -0.77 114.58 120.09 1y8m h GLU 121 Ca 0.04 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 57.89 1y8m h GLU 121 Cb 0.54 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1y8m h GLU 121 CO 0.02 1.02 -0.17 -0.44 -1.00 0.00 0.00 179.01 178.45 1y8m h ASP 122 N 0.49 0.90 0.17 1.42 5.19 -0.97 0.21 116.42 123.83 1y8m h ASP 122 Ca 0.01 -0.39 -0.18 0.00 -0.62 0.00 0.00 57.03 55.86 1y8m h ASP 122 Cb 1.11 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.36 1y8m h ASP 122 CO 0.11 1.09 -0.67 0.50 -3.12 0.00 0.00 179.24 177.14 1y8m h LYS 123 N 0.71 0.47 0.00 3.56 1.63 -1.23 -2.88 116.57 118.82 1y8m h LYS 123 Ca 0.10 -0.35 -0.02 0.00 -0.85 0.00 0.00 60.65 59.54 1y8m h LYS 123 Cb 0.73 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1y8m h LYS 123 CO 0.06 0.97 -0.09 0.82 -3.45 0.00 0.00 179.45 177.76 1y8m h ILE 124 N 0.33 0.15 -0.31 2.00 2.04 -1.04 -3.03 117.51 117.66 1y8m h ILE 124 Ca -0.02 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.60 1y8m h ILE 124 Cb 1.23 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 1y8m h ILE 124 CO 0.12 0.09 -0.08 1.56 0.00 0.00 0.00 178.15 179.83 1y8m h GLN 125 N 0.00 0.51 -0.27 2.37 4.20 -0.36 -2.22 115.11 119.34 1y8m h GLN 125 Ca -0.00 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 1y8m h GLN 125 Cb 1.04 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1y8m h GLN 125 CO 0.01 0.60 -0.19 0.87 -0.67 0.00 0.00 178.83 179.44 1y8m h LYS 126 N 0.47 0.60 0.00 1.46 1.79 -1.46 -2.06 116.57 117.38 1y8m h LYS 126 Ca 0.09 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1y8m h LYS 126 Cb 0.44 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1y8m h LYS 126 CO 0.02 0.88 0.32 0.39 -1.08 0.00 0.00 179.45 179.98 1y8m n GLU 127 N -4.38 0.04 0.00 3.15 1.02 -0.85 -4.81 120.64 114.81 1y8m n GLU 127 Ca -0.04 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1y8m n GLU 127 Cb 0.40 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1y8m n GLU 127 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1y8m n THR 128 N -1.63 0.00 -2.18 2.62 5.66 -0.78 -4.90 114.28 113.08 1y8m n THR 128 Ca -0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1y8m n THR 128 Cb 0.33 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.13 1y8m n THR 128 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1y8m n LEU 129 N 0.00 -3.01 0.00 1.09 7.94 -1.26 -4.95 117.00 116.81 1y8m n LEU 129 Ca 0.00 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 1y8m n LEU 129 Cb 0.00 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 42.59 1y8m n LEU 129 CO 0.00 0.06 0.00 1.17 -1.11 0.00 0.00 177.39 177.51 1y8m n LYS 130 N -2.04 0.00 -3.15 1.96 3.00 -1.26 -5.14 118.16 111.52 1y8m n LYS 130 Ca -0.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.26 1y8m n LYS 130 Cb 0.54 -0.02 0.01 0.00 0.00 0.00 0.00 35.03 35.57 1y8m n LYS 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1y8m n GLY 131 N 0.00 0.69 3.72 3.14 0.00 -1.26 -5.14 105.19 106.34 1y8m n GLY 131 Ca 0.00 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 1y8m n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y8m s VAL 132 N -2.18 2.01 0.00 1.61 0.11 -1.26 -5.03 120.40 115.67 1y8m s VAL 132 Ca 0.17 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1y8m s VAL 132 Cb -0.02 -2.91 0.00 0.00 -1.53 0.00 0.00 36.38 31.93 1y8m s VAL 132 CO 0.03 -0.00 0.00 1.33 -3.33 0.00 0.00 175.10 173.12 1y8m n VAL 133 N -2.14 0.00 -0.52 2.04 0.24 -1.26 -5.05 118.33 111.64 1y8m n VAL 133 Ca 0.16 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.16 1y8m n VAL 133 Cb 0.48 0.00 0.24 0.00 -1.47 0.00 0.00 33.84 33.09 1y8m n VAL 133 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1y8m n VAL 134 N 0.00 0.00 -0.22 3.34 0.24 -1.26 -4.96 118.33 115.47 1y8m n VAL 134 Ca 0.00 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1y8m n VAL 134 Cb 0.00 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 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 -4.88 0.00 -2.85 2.33 0.00 -1.26 -4.94 120.51 108.91 1y8m n ALA 135 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1y8m n ALA 135 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.07 1y8m n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y8m n GLY 136 N 0.00 1.71 3.62 0.00 0.00 -1.26 -5.10 105.19 104.17 1y8m n GLY 136 Ca 0.00 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 1y8m n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y8m s GLY 137 N -1.82 1.03 -0.29 -0.02 0.00 -1.26 -4.93 107.32 100.03 1y8m s GLY 137 Ca 0.28 0.57 -0.14 0.00 0.00 0.00 0.00 44.72 45.43 1y8m s GLY 137 CO -0.05 3.25 0.84 0.54 0.00 0.00 0.00 173.10 177.67 1y8m s VAL 138 N 6.01 -0.43 -0.41 1.40 0.11 -1.26 -5.09 120.40 120.72 1y8m s VAL 138 Ca 0.80 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.86 1y8m s VAL 138 Cb -0.28 -1.00 0.25 0.00 -1.53 0.00 0.00 36.38 33.82 1y8m s VAL 138 CO 0.33 0.00 1.04 1.57 -3.33 0.00 0.00 175.10 174.70 1y8m n HIS 139 N 4.69 -1.99 0.00 1.54 -0.00 -1.26 -4.99 115.22 113.21 1y8m n HIS 139 Ca -0.14 -1.18 0.00 0.00 -0.00 0.00 0.00 57.72 56.40 1y8m n HIS 139 Cb 0.54 1.32 0.00 0.00 -0.00 0.00 0.00 29.99 31.85 1y8m n HIS 139 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1y8m n HIS 140 N 1.80 -0.50 0.06 1.57 -0.00 -1.26 -4.92 115.22 111.97 1y8m n HIS 140 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.73 1y8m n HIS 140 Cb 0.66 0.35 -0.11 0.00 -0.00 0.00 0.00 29.99 30.88 1y8m n HIS 140 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1y8m h HIS 141 N 0.00 0.00 -3.04 1.57 2.07 -2.05 -3.39 115.15 110.30 1y8m h HIS 141 Ca 0.00 0.00 -0.74 0.00 -2.85 0.00 0.00 60.37 56.78 1y8m h HIS 141 Cb 0.00 0.00 -0.22 0.00 2.57 0.00 0.00 27.41 29.76 1y8m h HIS 141 CO 0.00 0.95 0.55 -1.58 -3.07 0.00 0.00 177.93 174.78 1y8m s HIS 142 N -2.73 3.48 -0.21 6.12 5.04 -1.26 -5.00 115.29 120.74 1y8m s HIS 142 Ca 0.01 -1.77 -0.29 0.00 -1.54 0.00 0.00 55.06 51.47 1y8m s HIS 142 Cb 0.10 -4.07 -0.04 0.00 0.04 0.00 0.00 32.58 28.61 1y8m s HIS 142 CO 0.81 -1.24 1.92 -1.58 -2.34 0.00 0.00 174.74 172.31 1y8m s HIS 143 N 1.33 1.58 -2.00 3.88 2.46 -1.26 -4.73 115.29 116.54 1y8m s HIS 143 Ca 0.27 0.41 0.00 0.00 0.47 0.00 0.00 55.06 56.22 1y8m s HIS 143 Cb -0.07 -4.04 0.02 0.00 -0.13 0.00 0.00 32.58 28.36 1y8m s HIS 143 CO -0.09 -3.74 0.52 0.72 -2.47 0.00 0.00 174.74 169.69