#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrr s LEU 2 N 0.00 4.26 -0.83 -0.89 2.96 -0.49 -4.86 118.68 118.82 2yrr s LEU 2 Ca 0.00 1.95 -0.21 0.00 -0.22 0.00 0.00 54.13 55.66 2yrr s LEU 2 Cb 0.00 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.25 2yrr s LEU 2 CO 0.00 -0.80 1.09 -0.22 -1.32 0.00 0.00 176.35 175.10 2yrr s LEU 3 N 3.42 4.64 -0.30 -0.68 0.20 -1.26 -0.34 118.68 124.36 2yrr s LEU 3 Ca 0.63 -1.57 0.08 0.00 0.69 0.00 0.00 54.13 53.96 2yrr s LEU 3 Cb -0.27 -2.42 0.49 0.00 -0.43 0.00 0.00 46.19 43.55 2yrr s LEU 3 CO 0.22 -1.26 1.43 0.18 -0.29 0.00 0.00 176.35 176.63 2yrr n LEU 4 N 7.23 4.14 -4.84 -0.68 4.77 0.11 -4.19 117.00 123.53 2yrr n LEU 4 Ca 0.14 -3.92 -0.32 0.00 -0.03 0.00 0.00 56.01 51.88 2yrr n LEU 4 Cb 0.48 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2yrr n LEU 4 CO 0.57 1.38 0.70 0.42 -1.33 0.00 0.00 177.39 179.13 2yrr s THR 5 N -3.43 4.46 -0.96 -5.08 -4.23 -1.09 -0.72 115.64 104.59 2yrr s THR 5 Ca 0.45 1.04 -0.08 0.00 -1.18 0.00 0.00 61.69 61.92 2yrr s THR 5 Cb 0.41 -3.70 -0.10 0.00 1.34 0.00 0.00 72.50 70.44 2yrr s THR 5 CO -0.01 -0.81 3.08 -0.81 -0.54 0.00 0.00 174.62 175.53 2yrr n PRO 6 N -2.09 3.17 0.00 3.99 -0.04 -1.26 -3.91 135.00 134.85 2yrr n PRO 6 Ca 0.07 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 2yrr n PRO 6 Cb 0.54 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 2yrr n PRO 6 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yrr n GLY 7 N 2.72 1.87 3.41 0.55 0.00 -1.26 -4.98 105.19 107.50 2yrr n GLY 7 Ca 0.62 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 2yrr n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrr s PRO 8 N -3.88 -2.08 0.25 1.61 0.04 -1.26 -5.07 135.00 124.61 2yrr s PRO 8 Ca 0.00 0.28 0.03 0.00 0.04 0.00 0.00 61.00 61.35 2yrr s PRO 8 Cb 0.00 -1.46 -0.05 0.00 0.04 0.00 0.00 34.50 33.02 2yrr s PRO 8 CO 0.00 -4.35 0.02 0.95 0.04 0.00 0.00 177.00 173.66 2yrr s THR 9 N -2.47 1.02 0.44 1.26 -4.23 -1.00 -4.33 115.64 106.33 2yrr s THR 9 Ca 0.69 -2.03 -0.25 0.00 -1.18 0.00 0.00 61.69 58.92 2yrr s THR 9 Cb -0.16 -2.47 -0.08 0.00 1.34 0.00 0.00 72.50 71.13 2yrr s THR 9 CO 0.59 -0.22 1.37 -2.84 -0.54 0.00 0.00 174.62 172.98 2yrr s PRO 10 N -3.89 3.77 -0.23 3.99 0.02 -1.26 -4.89 135.00 132.52 2yrr s PRO 10 Ca 0.31 2.29 -0.07 0.00 0.02 0.00 0.00 61.00 63.56 2yrr s PRO 10 Cb 0.06 -2.67 -0.03 0.00 0.02 0.00 0.00 34.50 31.88 2yrr s PRO 10 CO 0.11 -0.71 0.06 0.42 -0.33 0.00 0.00 177.00 176.55 2yrr s ILE 11 N -1.24 4.43 0.40 2.83 1.01 -1.26 -4.35 121.20 123.02 2yrr s ILE 11 Ca 0.60 -0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.85 2yrr s ILE 11 Cb -0.41 -3.05 -0.11 0.00 0.01 0.00 0.00 42.46 38.91 2yrr s ILE 11 CO 0.53 0.38 1.16 -2.65 0.00 0.00 0.00 174.94 174.35 2yrr n PRO 12 N 4.46 1.70 -0.26 2.79 -0.02 -1.26 -4.71 135.00 137.69 2yrr n PRO 12 Ca -0.16 0.60 0.02 0.00 -2.02 0.00 0.00 63.50 61.95 2yrr n PRO 12 Cb 0.52 -2.21 0.15 0.00 -0.02 0.00 0.00 33.50 31.95 2yrr n PRO 12 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2yrr h GLU 13 N 1.94 0.62 -0.73 -0.52 4.81 -1.99 -0.03 114.58 118.69 2yrr h GLU 13 Ca -0.46 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 58.82 2yrr h GLU 13 Cb 1.31 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 2yrr h GLU 13 CO 0.59 0.41 0.48 -0.09 -0.73 0.00 0.00 179.01 179.67 2yrr h ARG 14 N 0.64 0.67 0.01 1.92 2.43 -1.99 -0.14 114.38 117.92 2yrr h ARG 14 Ca 0.37 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2yrr h ARG 14 Cb 0.41 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2yrr h ARG 14 CO -0.28 0.44 -0.01 0.28 -1.51 0.00 0.00 179.97 178.90 2yrr h VAL 15 N 0.69 1.51 -0.41 0.20 2.07 -1.40 -3.20 116.25 115.70 2yrr h VAL 15 Ca 0.32 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 2yrr h VAL 15 Cb 0.36 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 2yrr h VAL 15 CO -0.11 0.47 0.19 -0.61 0.02 0.00 0.00 177.57 177.53 2yrr h GLN 16 N -0.90 0.57 0.00 1.57 4.15 -1.02 -2.00 115.11 117.49 2yrr h GLN 16 Ca -0.00 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 2yrr h GLN 16 Cb 0.79 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2yrr h GLN 16 CO 0.00 0.46 -0.18 0.87 -1.93 0.00 0.00 178.83 178.05 2yrr h LYS 17 N 0.57 0.00 0.00 1.69 1.57 -1.12 -1.68 116.57 117.60 2yrr h LYS 17 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2yrr h LYS 17 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2yrr h LYS 17 CO -0.02 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.04 2yrr h ALA 18 N 1.82 1.00 0.00 3.86 0.00 -1.35 -0.78 119.26 123.81 2yrr h ALA 18 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yrr h ALA 18 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2yrr h ALA 18 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2yrr n LEU 19 N -2.38 0.66 0.02 0.00 4.77 -0.63 -2.72 117.00 116.71 2yrr n LEU 19 Ca -0.00 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 2yrr n LEU 19 Cb 0.11 -0.49 0.32 0.00 -2.33 0.00 0.00 43.42 41.03 2yrr n LEU 19 CO 0.15 -0.41 0.56 0.18 -1.33 0.00 0.00 177.39 176.54 2yrr n LEU 20 N -2.19 0.44 -4.73 2.23 4.77 -0.30 -4.92 117.00 112.31 2yrr n LEU 20 Ca 0.03 0.17 -0.38 0.00 -0.03 0.00 0.00 56.01 55.81 2yrr n LEU 20 Cb 0.29 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2yrr n LEU 20 CO 0.23 0.05 0.91 0.54 -1.33 0.00 0.00 177.39 177.80 2yrr n ARG 21 N -1.65 1.36 -1.62 3.23 1.74 -1.10 -4.86 116.66 113.76 2yrr n ARG 21 Ca 0.05 0.51 -0.50 0.00 -0.77 0.00 0.00 57.85 57.15 2yrr n ARG 21 Cb 0.36 -2.53 -0.05 0.00 -1.02 0.00 0.00 32.46 29.22 2yrr n ARG 21 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2yrr n PRO 22 N -1.45 1.48 -1.97 5.56 -0.02 -1.26 -4.93 135.00 132.42 2yrr n PRO 22 Ca 0.13 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 2yrr n PRO 22 Cb 0.46 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 2yrr n PRO 22 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2yrr s MET 23 N 0.80 3.45 0.09 -0.52 1.75 -1.26 -5.04 119.30 118.56 2yrr s MET 23 Ca 0.83 2.08 -0.04 0.00 -1.25 0.00 0.00 55.69 57.31 2yrr s MET 23 Cb -0.87 -2.37 -0.03 0.00 2.84 0.00 0.00 34.83 34.41 2yrr s MET 23 CO 0.45 -0.89 0.08 1.03 -0.65 0.00 0.00 175.02 175.03 2yrr s ARG 24 N -2.76 0.80 0.63 4.11 0.52 -1.26 -5.14 118.95 115.85 2yrr s ARG 24 Ca 0.67 -1.19 -0.17 0.00 -0.52 0.00 0.00 55.73 54.52 2yrr s ARG 24 Cb -0.36 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.36 2yrr s ARG 24 CO 0.44 -0.22 1.19 0.20 0.02 0.00 0.00 175.30 176.92 2yrr s GLY 25 N -2.94 2.55 0.00 -3.53 0.00 -1.26 -4.88 107.32 97.26 2yrr s GLY 25 Ca 0.11 0.89 0.16 0.00 0.00 0.00 0.00 44.72 45.88 2yrr s GLY 25 CO -0.07 1.28 1.45 -2.39 0.00 0.00 0.00 173.10 173.37 2yrr n HIS 26 N -1.95 0.00 0.09 1.90 1.44 -1.26 -1.69 115.22 113.75 2yrr n HIS 26 Ca 0.13 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.88 2yrr n HIS 26 Cb 0.50 -0.31 0.08 0.00 0.12 0.00 0.00 29.99 30.38 2yrr n HIS 26 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2yrr n LEU 27 N -1.31 2.26 -4.72 2.39 4.77 -1.26 -4.65 117.00 114.48 2yrr n LEU 27 Ca 0.07 -1.55 -0.43 0.00 -0.03 0.00 0.00 56.01 54.08 2yrr n LEU 27 Cb 0.13 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2yrr n LEU 27 CO 0.12 0.52 1.28 -0.67 -1.33 0.00 0.00 177.39 177.31 2yrr n ASP 28 N 0.37 3.72 -0.25 -1.43 -0.08 -0.68 -4.78 116.55 113.42 2yrr n ASP 28 Ca 0.07 1.10 0.31 0.00 -1.51 0.00 0.00 54.79 54.75 2yrr n ASP 28 Cb 0.31 -1.55 0.72 0.00 2.34 0.00 0.00 41.12 42.94 2yrr n ASP 28 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2yrr h PRO 29 N 5.83 0.04 -0.29 -0.67 0.11 -1.94 0.20 132.00 135.27 2yrr h PRO 29 Ca -0.45 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 2yrr h PRO 29 Cb 1.22 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2yrr h PRO 29 CO 0.88 0.02 -0.52 0.93 -0.21 0.00 0.00 178.00 179.11 2yrr h GLU 30 N 0.04 0.83 -0.36 1.05 4.39 -1.95 -0.34 114.58 118.24 2yrr h GLU 30 Ca 0.49 -0.51 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 2yrr h GLU 30 Cb 1.90 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.59 2yrr h GLU 30 CO -0.03 1.14 -0.32 0.28 -1.16 0.00 0.00 179.01 178.92 2yrr h VAL 31 N 0.65 1.28 -0.56 3.13 2.07 -0.97 -0.99 116.25 120.85 2yrr h VAL 31 Ca 0.02 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.00 2yrr h VAL 31 Cb 1.11 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 2yrr h VAL 31 CO 0.11 0.49 0.09 -0.07 0.02 0.00 0.00 177.57 178.21 2yrr h LEU 32 N 0.68 0.85 -0.36 2.57 4.07 -1.02 0.35 115.31 122.44 2yrr h LEU 32 Ca 0.07 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.82 2yrr h LEU 32 Cb 0.87 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 2yrr h LEU 32 CO 0.08 0.86 0.12 0.03 -1.08 0.00 0.00 178.44 178.44 2yrr h ARG 33 N 0.85 0.56 -0.79 1.13 -0.00 -0.70 -1.35 114.38 114.08 2yrr h ARG 33 Ca 0.18 -0.12 0.03 0.00 -0.50 0.00 0.00 59.98 59.57 2yrr h ARG 33 Cb 0.38 -0.08 -0.05 0.00 0.00 0.00 0.00 29.97 30.22 2yrr h ARG 33 CO 0.01 0.58 0.50 0.28 0.00 0.00 0.00 179.97 181.34 2yrr h VAL 34 N 0.44 1.12 -0.65 2.04 2.07 -0.78 -1.75 116.25 118.74 2yrr h VAL 34 Ca 0.12 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2yrr h VAL 34 Cb 0.25 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2yrr h VAL 34 CO -0.00 0.18 0.34 0.78 0.02 0.00 0.00 177.57 178.89 2yrr h ASN 35 N 0.98 0.83 0.18 0.57 2.35 -0.45 -0.12 115.58 119.92 2yrr h ASN 35 Ca 0.32 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 2yrr h ASN 35 Cb 0.01 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2yrr h ASN 35 CO -0.11 0.70 -0.26 0.03 -1.65 0.00 0.00 177.43 176.14 2yrr h ARG 36 N 0.89 0.14 -0.25 0.81 3.08 -0.82 -1.50 114.38 116.73 2yrr h ARG 36 Ca 0.23 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 2yrr h ARG 36 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2yrr h ARG 36 CO -0.03 0.40 -0.12 0.00 -1.07 0.00 0.00 179.97 179.14 2yrr h ALA 37 N 1.61 0.36 -0.96 0.04 0.00 -0.64 -1.64 119.26 118.03 2yrr h ALA 37 Ca 0.02 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.69 2yrr h ALA 37 Cb 0.53 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 2yrr h ALA 37 CO 0.04 0.22 0.61 0.82 0.00 0.00 0.00 179.25 180.94 2yrr h ILE 38 N 0.26 1.05 -0.81 0.00 2.04 -0.52 0.08 117.51 119.62 2yrr h ILE 38 Ca 0.06 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2yrr h ILE 38 Cb 0.62 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 2yrr h ILE 38 CO 0.04 0.20 0.34 1.56 0.00 0.00 0.00 178.15 180.29 2yrr h GLN 39 N 1.09 1.19 -0.19 2.37 4.20 -1.01 0.79 115.11 123.55 2yrr h GLN 39 Ca 0.42 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 2yrr h GLN 39 Cb 0.20 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2yrr h GLN 39 CO -0.18 0.95 0.06 0.93 -0.67 0.00 0.00 178.83 179.91 2yrr h GLU 40 N 1.17 0.30 -0.25 1.46 5.08 -0.19 0.14 114.58 122.29 2yrr h GLU 40 Ca 0.27 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2yrr h GLU 40 Cb 0.18 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2yrr h GLU 40 CO -0.03 0.41 0.10 0.00 -1.00 0.00 0.00 179.01 178.49 2yrr h ARG 41 N 0.13 0.37 -0.54 2.33 -0.00 -0.83 -2.21 114.38 113.63 2yrr h ARG 41 Ca 0.06 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.98 59.45 2yrr h ARG 41 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.12 2yrr h ARG 41 CO -0.00 0.40 0.22 -0.07 0.00 0.00 0.00 179.97 180.52 2yrr h LEU 42 N 0.25 0.71 -1.00 3.04 3.38 -0.73 -2.10 115.31 118.85 2yrr h LEU 42 Ca 0.08 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2yrr h LEU 42 Cb 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2yrr h LEU 42 CO -0.01 0.64 0.01 0.00 0.09 0.00 0.00 178.44 179.17 2yrr h ALA 43 N 1.47 1.18 -0.18 1.53 0.00 -0.45 0.20 119.26 123.00 2yrr h ALA 43 Ca 0.19 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2yrr h ALA 43 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2yrr h ALA 43 CO -0.02 0.54 -0.25 0.00 0.00 0.00 0.00 179.25 179.52 2yrr h ALA 44 N 1.33 1.25 0.12 0.00 0.00 -0.77 0.28 119.26 121.47 2yrr h ALA 44 Ca 0.14 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 2yrr h ALA 44 Cb 0.41 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2yrr h ALA 44 CO 0.02 0.50 -1.20 -0.07 0.00 0.00 0.00 179.25 178.50 2yrr h LEU 45 N 0.30 0.41 -0.12 0.00 3.38 -1.03 -3.38 115.31 114.86 2yrr h LEU 45 Ca 0.05 -0.88 -0.18 0.00 0.09 0.00 0.00 57.88 56.95 2yrr h LEU 45 Cb 0.60 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.22 2yrr h LEU 45 CO 0.04 1.54 -0.64 -0.26 0.09 0.00 0.00 178.44 179.21 2yrr h PHE 46 N -0.34 0.88 -5.85 1.13 0.05 -0.61 -3.42 116.94 108.78 2yrr h PHE 46 Ca -0.25 -0.39 -0.34 0.00 3.82 0.00 0.00 57.97 60.81 2yrr h PHE 46 Cb 1.71 -0.14 0.14 0.00 2.00 0.00 0.00 35.95 39.67 2yrr h PHE 46 CO 0.15 1.20 -0.90 -3.47 -0.18 0.00 0.00 178.31 175.11 2yrr n ASP 47 N -4.09 -5.90 0.00 2.17 2.03 0.98 -0.90 116.55 110.85 2yrr n ASP 47 Ca -0.08 -0.87 0.09 0.00 0.52 0.00 0.00 54.79 54.46 2yrr n ASP 47 Cb 0.67 -4.28 0.42 0.00 -0.72 0.00 0.00 41.12 37.21 2yrr n ASP 47 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2yrr n PRO 48 N -3.73 0.00 0.00 -0.67 -0.04 -1.26 -1.85 135.00 127.45 2yrr n PRO 48 Ca -0.08 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2yrr n PRO 48 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2yrr n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yrr n GLY 49 N 0.52 -1.85 3.77 0.55 0.00 -1.26 -4.65 105.19 102.27 2yrr n GLY 49 Ca 0.05 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 2yrr n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yrr s GLU 50 N -2.93 4.22 0.00 1.61 2.02 -1.26 -3.15 118.70 119.20 2yrr s GLU 50 Ca 0.00 2.41 0.00 0.00 0.02 0.00 0.00 54.97 57.40 2yrr s GLU 50 Cb 0.00 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.21 2yrr s GLU 50 CO 0.00 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.30 2yrr n GLY 51 N 0.83 0.85 3.78 -1.39 0.00 -1.26 -4.44 105.19 103.55 2yrr n GLY 51 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2yrr n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrr s ALA 52 N -3.36 2.46 -0.25 4.61 0.00 -1.19 -4.33 121.76 119.70 2yrr s ALA 52 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 51.96 52.30 2yrr s ALA 52 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2yrr s ALA 52 CO 0.00 -1.34 0.14 -1.17 0.00 0.00 0.00 175.76 173.39 2yrr s LEU 53 N -5.12 3.88 -0.09 0.00 2.96 0.18 -4.94 118.68 115.56 2yrr s LEU 53 Ca 0.65 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 2yrr s LEU 53 Cb -0.19 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.45 2yrr s LEU 53 CO 0.45 0.01 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.58 2yrr s VAL 54 N 1.37 1.93 0.30 1.68 1.01 -1.26 -1.02 120.40 124.40 2yrr s VAL 54 Ca 0.06 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 2yrr s VAL 54 Cb -0.15 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.62 2yrr s VAL 54 CO 0.06 0.53 0.83 0.00 0.00 0.00 0.00 175.10 176.52 2yrr s ALA 55 N 0.31 -1.11 -0.33 5.51 0.00 -0.89 -4.89 121.76 120.35 2yrr s ALA 55 Ca -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2yrr s ALA 55 Cb -0.17 0.73 0.11 0.00 0.00 0.00 0.00 23.12 23.79 2yrr s ALA 55 CO 0.07 -1.02 0.12 0.00 0.00 0.00 0.00 175.76 174.93 2yrr s ALA 56 N -2.83 1.74 0.63 0.00 0.00 -1.26 -0.12 121.76 119.93 2yrr s ALA 56 Ca 0.15 -1.90 -0.18 0.00 0.00 0.00 0.00 51.96 50.03 2yrr s ALA 56 Cb -0.05 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 2yrr s ALA 56 CO 0.08 -1.74 1.28 -0.51 0.00 0.00 0.00 175.76 174.88 2yrr s LEU 57 N 1.35 3.60 -1.29 0.00 1.43 -0.27 -4.64 118.68 118.86 2yrr s LEU 57 Ca 0.11 2.59 -0.14 0.00 -1.03 0.00 0.00 54.13 55.66 2yrr s LEU 57 Cb -0.19 -4.60 0.12 0.00 0.03 0.00 0.00 46.19 41.55 2yrr s LEU 57 CO -0.19 -1.92 1.74 0.00 0.23 0.00 0.00 176.35 176.21 2yrr n ALA 58 N -1.81 4.28 0.00 4.21 0.00 -1.26 -0.87 120.51 125.05 2yrr n ALA 58 Ca 0.15 -4.06 0.00 0.00 0.00 0.00 0.00 53.44 49.53 2yrr n ALA 58 Cb 0.48 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.62 2yrr n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yrr n GLY 59 N 4.33 -1.38 3.90 0.00 0.00 -0.52 -4.97 105.19 106.55 2yrr n GLY 59 Ca 0.44 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 2yrr n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yrr n SER 60 N 0.61 0.22 -0.16 1.61 3.41 -1.26 -1.99 113.62 116.07 2yrr n SER 60 Ca 0.00 -1.55 0.14 0.00 -0.26 0.00 0.00 58.87 57.20 2yrr n SER 60 Cb 0.00 -0.99 0.48 0.00 -0.26 0.00 0.00 64.21 63.43 2yrr n SER 60 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2yrr h GLY 61 N -1.66 0.76 1.75 5.00 0.00 -1.79 -0.63 103.07 106.50 2yrr h GLY 61 Ca -0.43 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 2yrr h GLY 61 CO 0.31 0.08 0.16 1.76 0.00 0.00 0.00 176.54 178.85 2yrr h SER 62 N 0.47 0.29 -0.53 0.19 0.02 -1.92 -0.04 113.55 112.05 2yrr h SER 62 Ca 0.36 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.20 2yrr h SER 62 Cb 0.73 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2yrr h SER 62 CO -0.12 0.22 -0.04 0.25 -1.14 0.00 0.00 176.83 176.01 2yrr h LEU 63 N 0.35 0.94 -0.56 5.07 5.85 -1.45 -0.21 115.31 125.29 2yrr h LEU 63 Ca 0.09 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2yrr h LEU 63 Cb -0.02 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 2yrr h LEU 63 CO -0.02 1.04 0.34 1.23 -0.34 0.00 0.00 178.44 180.69 2yrr h GLY 64 N 0.82 0.82 0.80 3.75 0.00 -1.04 -1.10 103.07 107.13 2yrr h GLY 64 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2yrr h GLY 64 CO 0.03 0.33 -0.27 1.98 0.00 0.00 0.00 176.54 178.62 2yrr h MET 65 N 0.76 -0.61 -0.47 4.80 1.85 -0.68 -3.01 114.93 117.58 2yrr h MET 65 Ca 0.20 0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.32 2yrr h MET 65 Cb -0.01 0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.13 2yrr h MET 65 CO -0.04 -0.40 0.25 1.49 -0.40 0.00 0.00 176.91 177.80 2yrr h GLU 66 N -0.63 0.64 -0.28 0.39 4.81 -0.87 -2.70 114.58 115.94 2yrr h GLU 66 Ca -0.03 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2yrr h GLU 66 Cb 0.54 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2yrr h GLU 66 CO 0.00 0.48 0.12 0.00 -0.73 0.00 0.00 179.01 178.89 2yrr h ALA 67 N 1.62 1.70 0.00 2.92 0.00 -1.07 0.28 119.26 124.71 2yrr h ALA 67 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2yrr h ALA 67 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2yrr h ALA 67 CO -0.03 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2yrr n GLY 68 N -1.32 -1.07 0.71 0.00 0.00 -1.02 -3.15 105.19 99.34 2yrr n GLY 68 Ca 0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 2yrr n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yrr n LEU 69 N -1.13 0.72 0.30 0.99 4.77 -0.64 -4.58 117.00 117.43 2yrr n LEU 69 Ca 0.18 0.09 0.18 0.00 -0.03 0.00 0.00 56.01 56.43 2yrr n LEU 69 Cb 0.16 -0.24 0.97 0.00 -2.33 0.00 0.00 43.42 41.98 2yrr n LEU 69 CO 0.19 0.20 1.10 0.00 -1.33 0.00 0.00 177.39 177.55 2yrr h ALA 70 N -0.27 1.23 -0.01 -1.18 0.00 -1.10 -1.53 119.26 116.40 2yrr h ALA 70 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2yrr h ALA 70 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2yrr h ALA 70 CO -0.12 0.03 -0.27 0.09 0.00 0.00 0.00 179.25 178.99 2yrr n ASN 71 N -3.44 1.24 -4.75 0.00 4.13 -1.19 -4.17 115.26 107.08 2yrr n ASN 71 Ca -0.02 -1.05 -0.41 0.00 1.68 0.00 0.00 54.58 54.78 2yrr n ASN 71 Cb 0.13 0.17 -0.04 0.00 -1.54 0.00 0.00 39.78 38.51 2yrr n ASN 71 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2yrr s LEU 72 N -2.45 4.48 0.07 3.41 2.96 -0.58 -1.05 118.68 125.52 2yrr s LEU 72 Ca 0.25 2.26 -0.24 0.00 -0.22 0.00 0.00 54.13 56.18 2yrr s LEU 72 Cb 0.19 -3.61 -0.16 0.00 0.50 0.00 0.00 46.19 43.11 2yrr s LEU 72 CO 0.51 -0.30 1.64 -2.24 -1.32 0.00 0.00 176.35 174.64 2yrr h ASP 73 N 4.70 -0.01 -5.23 3.68 3.04 -1.67 -3.36 116.42 117.56 2yrr h ASP 73 Ca -0.45 -0.10 -0.07 0.00 -3.24 0.00 0.00 57.03 53.17 2yrr h ASP 73 Cb 1.21 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.43 2yrr h ASP 73 CO 0.71 0.09 -0.06 0.00 -2.04 0.00 0.00 179.24 177.94 2yrr s ARG 74 N -5.79 1.67 0.00 4.15 1.70 -1.26 -4.78 118.95 114.63 2yrr s ARG 74 Ca -0.14 -1.30 0.00 0.00 -0.47 0.00 0.00 55.73 53.83 2yrr s ARG 74 Cb 0.05 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 2yrr s ARG 74 CO 0.66 -0.71 0.00 0.41 -1.08 0.00 0.00 175.30 174.58 2yrr n GLY 75 N -0.42 2.92 3.81 3.88 0.00 -1.26 -4.81 105.19 109.31 2yrr n GLY 75 Ca -0.02 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 2yrr n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrr s PRO 76 N 2.71 0.89 -0.06 1.61 0.04 -1.26 -4.47 135.00 134.45 2yrr s PRO 76 Ca 0.00 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.11 2yrr s PRO 76 Cb 0.00 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.73 2yrr s PRO 76 CO 0.00 -2.32 -0.04 0.08 0.04 0.00 0.00 177.00 174.75 2yrr s VAL 77 N -3.43 0.60 -0.40 -0.36 1.01 -1.13 -1.20 120.40 115.48 2yrr s VAL 77 Ca 0.67 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 2yrr s VAL 77 Cb -0.11 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2yrr s VAL 77 CO 0.53 0.26 0.69 -0.22 0.00 0.00 0.00 175.10 176.36 2yrr s LEU 78 N 1.24 4.30 -0.36 3.92 2.96 -0.03 -0.56 118.68 130.16 2yrr s LEU 78 Ca -0.06 -0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.72 2yrr s LEU 78 Cb -0.14 -2.85 0.01 0.00 0.50 0.00 0.00 46.19 43.72 2yrr s LEU 78 CO -0.02 -0.74 0.21 -0.69 -1.32 0.00 0.00 176.35 173.79 2yrr s VAL 79 N 2.94 4.79 -0.35 1.68 1.01 -0.53 0.04 120.40 129.98 2yrr s VAL 79 Ca 0.26 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 2yrr s VAL 79 Cb -0.14 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2yrr s VAL 79 CO 0.18 -0.13 1.02 -0.76 0.00 0.00 0.00 175.10 175.41 2yrr s LEU 80 N 1.61 3.92 -0.12 3.92 1.43 -0.04 -1.84 118.68 127.57 2yrr s LEU 80 Ca 0.04 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2yrr s LEU 80 Cb -0.18 -3.44 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 2yrr s LEU 80 CO 0.08 -0.90 -0.15 -0.69 0.23 0.00 0.00 176.35 174.91 2yrr s VAL 81 N 3.66 2.89 0.00 -1.59 1.01 -0.46 -4.59 120.40 121.32 2yrr s VAL 81 Ca 0.43 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2yrr s VAL 81 Cb -0.12 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.14 2yrr s VAL 81 CO 0.18 0.54 0.90 -0.46 0.00 0.00 0.00 175.10 176.26 2yrr n ASN 82 N 3.39 -0.36 -3.66 3.32 2.04 -1.26 -0.54 115.26 118.19 2yrr n ASN 82 Ca -0.18 -1.75 0.01 0.00 -0.44 0.00 0.00 54.58 52.22 2yrr n ASN 82 Cb 0.53 0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.87 2yrr n ASN 82 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 2yrr s GLY 83 N -0.90 -0.24 0.38 4.83 0.00 -1.26 -4.38 107.32 105.74 2yrr s GLY 83 Ca 0.05 0.30 0.08 0.00 0.00 0.00 0.00 44.72 45.15 2yrr s GLY 83 CO -0.03 2.11 1.94 0.00 0.00 0.00 0.00 173.10 177.12 2yrr h ALA 84 N 2.00 1.52 0.09 3.20 0.00 -1.92 -2.14 119.26 122.01 2yrr h ALA 84 Ca -0.27 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 2yrr h ALA 84 Cb 1.20 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2yrr h ALA 84 CO 0.30 0.35 -1.17 0.74 0.00 0.00 0.00 179.25 179.47 2yrr h PHE 85 N 0.37 0.39 0.00 0.00 -1.00 -1.95 -2.46 116.94 112.29 2yrr h PHE 85 Ca 0.08 -0.28 -0.07 0.00 2.81 0.00 0.00 57.97 60.52 2yrr h PHE 85 Cb 0.26 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 2yrr h PHE 85 CO 0.01 1.21 -0.32 0.66 -1.61 0.00 0.00 178.31 178.25 2yrr h SER 86 N 0.06 0.00 0.45 2.17 4.64 -1.87 -1.81 113.55 117.19 2yrr h SER 86 Ca -0.10 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.11 2yrr h SER 86 Cb 1.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.97 2yrr h SER 86 CO 0.18 0.32 -0.50 1.56 -0.87 0.00 0.00 176.83 177.53 2yrr h GLN 87 N 0.00 0.06 -0.29 4.77 4.20 -1.28 -2.28 115.11 120.28 2yrr h GLN 87 Ca -0.00 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 2yrr h GLN 87 Cb 0.89 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2yrr h GLN 87 CO 0.04 0.55 -0.43 -0.09 -0.67 0.00 0.00 178.83 178.22 2yrr h ARG 88 N 0.05 0.74 -0.71 1.46 2.43 -0.86 -1.48 114.38 116.00 2yrr h ARG 88 Ca -0.00 -0.40 0.01 0.00 -0.81 0.00 0.00 59.98 58.77 2yrr h ARG 88 Cb 0.90 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 2yrr h ARG 88 CO 0.07 1.02 0.47 0.28 -1.51 0.00 0.00 179.97 180.30 2yrr h VAL 89 N 0.59 1.18 -0.59 0.20 2.07 -1.05 -1.12 116.25 117.53 2yrr h VAL 89 Ca 0.04 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2yrr h VAL 89 Cb 0.99 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2yrr h VAL 89 CO 0.09 0.18 0.24 0.00 0.02 0.00 0.00 177.57 178.10 2yrr h ALA 90 N 1.26 0.76 -0.69 1.67 0.00 -1.16 -0.77 119.26 120.34 2yrr h ALA 90 Ca 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2yrr h ALA 90 Cb -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2yrr h ALA 90 CO -0.06 0.37 0.37 1.05 0.00 0.00 0.00 179.25 180.98 2yrr h GLU 91 N 0.81 0.97 -0.18 0.00 4.11 -0.76 -1.15 114.58 118.38 2yrr h GLU 91 Ca 0.20 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.48 2yrr h GLU 91 Cb 0.19 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2yrr h GLU 91 CO -0.02 0.73 -0.02 0.52 0.07 0.00 0.00 179.01 180.30 2yrr h MET 92 N 0.95 0.33 -0.87 1.06 2.86 -0.99 -1.90 114.93 116.36 2yrr h MET 92 Ca 0.24 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.86 2yrr h MET 92 Cb 0.05 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.61 2yrr h MET 92 CO -0.04 0.56 0.52 0.00 1.06 0.00 0.00 176.91 179.02 2yrr h ALA 93 N 0.75 1.25 -0.40 6.32 0.00 -0.92 -1.40 119.26 124.87 2yrr h ALA 93 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2yrr h ALA 93 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2yrr h ALA 93 CO 0.01 0.18 0.03 0.00 0.00 0.00 0.00 179.25 179.47 2yrr h ALA 94 N 1.46 0.53 -0.95 0.00 0.00 -1.10 -1.04 119.26 118.15 2yrr h ALA 94 Ca 0.41 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2yrr h ALA 94 Cb 0.34 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2yrr h ALA 94 CO -0.23 0.27 0.62 1.25 0.00 0.00 0.00 179.25 181.17 2yrr h LEU 95 N 0.51 1.05 -1.10 0.00 5.85 -0.49 -2.06 115.31 119.08 2yrr h LEU 95 Ca 0.12 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2yrr h LEU 95 Cb 0.42 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2yrr h LEU 95 CO 0.01 0.73 0.00 1.41 -0.34 0.00 0.00 178.44 180.26 2yrr n HIS 96 N -4.46 0.40 -2.95 1.25 8.25 -0.61 -4.91 115.22 112.19 2yrr n HIS 96 Ca 0.12 -0.18 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 2yrr n HIS 96 Cb 0.07 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.17 2yrr n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2yrr n GLY 97 N 0.76 -0.41 0.63 -1.41 0.00 -0.77 -4.89 105.19 99.09 2yrr n GLY 97 Ca 0.08 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.20 2yrr n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yrr n LEU 98 N -3.69 1.82 -3.71 0.99 4.77 -0.41 -4.71 117.00 112.06 2yrr n LEU 98 Ca -0.10 -0.91 -0.31 0.00 -0.03 0.00 0.00 56.01 54.66 2yrr n LEU 98 Cb 0.61 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 2yrr n LEU 98 CO 0.43 0.44 -0.08 -0.67 -1.33 0.00 0.00 177.39 176.19 2yrr n ASP 99 N 0.47 -5.28 -4.78 -1.43 2.03 -1.26 -3.01 116.55 103.29 2yrr n ASP 99 Ca 0.11 -0.99 -0.36 0.00 0.52 0.00 0.00 54.79 54.07 2yrr n ASP 99 Cb 0.29 -3.03 -0.02 0.00 -0.72 0.00 0.00 41.12 37.65 2yrr n ASP 99 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2yrr s PRO 100 N -5.87 3.73 -0.22 -0.67 0.04 -1.26 -2.86 135.00 127.89 2yrr s PRO 100 Ca 0.39 1.62 0.02 0.00 0.04 0.00 0.00 61.00 63.07 2yrr s PRO 100 Cb -0.15 -2.28 0.04 0.00 0.04 0.00 0.00 34.50 32.15 2yrr s PRO 100 CO 0.88 -0.54 -0.12 -2.00 0.04 0.00 0.00 177.00 175.26 2yrr s GLU 101 N -2.89 2.26 -0.03 4.56 2.56 0.28 -4.89 118.70 120.55 2yrr s GLU 101 Ca 0.65 -1.01 -0.22 0.00 0.00 0.00 0.00 54.97 54.40 2yrr s GLU 101 Cb -0.24 -2.60 -0.05 0.00 2.00 0.00 0.00 34.13 33.24 2yrr s GLU 101 CO 0.29 -0.44 0.65 0.08 -0.56 0.00 0.00 175.26 175.28 2yrr s VAL 102 N 1.28 4.95 -0.32 3.70 1.01 -1.26 -1.45 120.40 128.31 2yrr s VAL 102 Ca -0.03 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.31 2yrr s VAL 102 Cb -0.17 -3.99 0.07 0.00 0.00 0.00 0.00 36.38 32.30 2yrr s VAL 102 CO -0.08 0.34 0.02 -0.22 0.00 0.00 0.00 175.10 175.16 2yrr s LEU 103 N 0.24 4.22 0.28 3.92 2.96 -0.76 -4.97 118.68 124.57 2yrr s LEU 103 Ca 0.34 -1.65 -0.18 0.00 -0.22 0.00 0.00 54.13 52.42 2yrr s LEU 103 Cb -0.18 -1.67 -0.09 0.00 0.50 0.00 0.00 46.19 44.75 2yrr s LEU 103 CO 0.18 -0.32 0.75 -1.81 -1.32 0.00 0.00 176.35 173.83 2yrr s ASP 104 N 1.23 6.94 0.04 3.68 -0.00 -1.26 -1.36 116.67 125.95 2yrr s ASP 104 Ca -0.00 1.40 0.03 0.00 -0.00 0.00 0.00 52.55 53.97 2yrr s ASP 104 Cb -0.20 -2.41 -0.02 0.00 -0.00 0.00 0.00 42.92 40.28 2yrr s ASP 104 CO -0.04 -0.10 -0.09 -0.36 -0.00 0.00 0.00 175.17 174.58 2yrr s PHE 105 N -1.76 0.79 0.17 4.23 0.40 0.30 -4.94 117.98 117.18 2yrr s PHE 105 Ca 0.49 -0.42 -0.33 0.00 -0.60 0.00 0.00 56.93 56.07 2yrr s PHE 105 Cb -0.14 -0.47 -0.13 0.00 0.51 0.00 0.00 43.02 42.79 2yrr s PHE 105 CO 0.19 -0.04 1.66 -2.30 0.70 0.00 0.00 175.22 175.44 2yrr n PRO 106 N 1.69 2.46 -1.75 0.24 -0.02 -1.26 -4.39 135.00 131.97 2yrr n PRO 106 Ca -0.21 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 2yrr n PRO 106 Cb 0.55 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 2yrr n PRO 106 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2yrr n PRO 107 N 3.88 2.55 -0.04 0.52 -0.02 -1.26 -0.78 135.00 139.84 2yrr n PRO 107 Ca 0.17 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 2yrr n PRO 107 Cb 0.32 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 2yrr n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2yrr n GLY 108 N 1.11 0.48 3.36 -1.23 0.00 -1.26 -4.96 105.19 102.69 2yrr n GLY 108 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2yrr n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yrr s GLU 109 N -0.85 1.33 0.49 1.61 2.02 0.04 -0.07 118.70 123.27 2yrr s GLU 109 Ca 0.00 -1.30 -0.12 0.00 0.02 0.00 0.00 54.97 53.57 2yrr s GLU 109 Cb 0.00 -1.75 -0.06 0.00 0.10 0.00 0.00 34.13 32.41 2yrr s GLU 109 CO 0.00 0.41 0.89 -1.25 0.02 0.00 0.00 175.26 175.33 2yrr s PRO 110 N -2.04 3.77 0.23 0.39 0.04 -1.26 -4.75 135.00 131.38 2yrr s PRO 110 Ca 0.12 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 2yrr s PRO 110 Cb -0.10 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 2yrr s PRO 110 CO 0.06 -0.23 1.48 0.08 0.04 0.00 0.00 177.00 178.43 2yrr s VAL 111 N -2.65 2.60 -0.34 -0.36 1.01 -1.26 -4.93 120.40 114.46 2yrr s VAL 111 Ca 0.54 0.48 -0.19 0.00 0.00 0.00 0.00 61.98 62.81 2yrr s VAL 111 Cb -0.10 -3.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 2yrr s VAL 111 CO 0.37 0.07 0.55 -0.62 0.00 0.00 0.00 175.10 175.47 2yrr s ASP 112 N 0.56 6.36 0.35 3.32 -1.08 -1.26 -4.55 116.67 120.36 2yrr s ASP 112 Ca 0.62 0.06 0.11 0.00 -0.52 0.00 0.00 52.55 52.82 2yrr s ASP 112 Cb -0.43 -2.29 0.88 0.00 -1.46 0.00 0.00 42.92 39.63 2yrr s ASP 112 CO 0.41 -0.50 1.80 -0.65 0.52 0.00 0.00 175.17 176.76 2yrr h PRO 113 N 8.43 0.61 -0.77 4.34 0.11 -1.93 -1.26 132.00 141.51 2yrr h PRO 113 Ca -0.27 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 2yrr h PRO 113 Cb 1.12 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 2yrr h PRO 113 CO 0.79 0.40 0.31 0.93 -0.21 0.00 0.00 178.00 180.22 2yrr h GLU 114 N 0.62 1.15 -0.47 1.05 5.08 -1.99 -0.16 114.58 119.86 2yrr h GLU 114 Ca 0.54 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2yrr h GLU 114 Cb 1.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2yrr h GLU 114 CO -0.30 0.92 -0.02 0.00 -1.00 0.00 0.00 179.01 178.61 2yrr h ALA 115 N 1.22 1.08 -0.54 3.43 0.00 -1.66 -2.21 119.26 120.57 2yrr h ALA 115 Ca 0.26 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2yrr h ALA 115 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2yrr h ALA 115 CO -0.02 0.58 0.01 0.28 0.00 0.00 0.00 179.25 180.09 2yrr h VAL 116 N 0.74 1.26 -0.91 0.00 2.07 -1.01 -2.14 116.25 116.26 2yrr h VAL 116 Ca 0.14 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2yrr h VAL 116 Cb 0.48 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2yrr h VAL 116 CO 0.02 0.39 0.53 0.00 0.02 0.00 0.00 177.57 178.53 2yrr h ALA 117 N 0.96 1.21 -0.55 1.67 0.00 -0.67 0.27 119.26 122.15 2yrr h ALA 117 Ca 0.15 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2yrr h ALA 117 Cb 0.53 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2yrr h ALA 117 CO 0.03 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.87 2yrr h ARG 118 N 1.27 1.01 -0.50 0.00 3.08 -1.24 -2.88 114.38 115.13 2yrr h ARG 118 Ca 0.32 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2yrr h ARG 118 Cb -0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2yrr h ARG 118 CO -0.06 1.04 -0.01 0.00 -1.07 0.00 0.00 179.97 179.88 2yrr h ALA 119 N 0.94 1.05 0.00 0.04 0.00 -0.77 -2.28 119.26 118.24 2yrr h ALA 119 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2yrr h ALA 119 Cb 0.63 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2yrr h ALA 119 CO 0.04 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.16 2yrr n LEU 120 N -4.20 0.22 0.04 0.00 4.77 0.03 -1.70 117.00 116.15 2yrr n LEU 120 Ca 0.03 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 2yrr n LEU 120 Cb 0.31 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.81 2yrr n LEU 120 CO 0.42 -0.37 -0.29 0.29 -1.33 0.00 0.00 177.39 176.11 2yrr n LYS 121 N -1.75 0.55 -0.03 3.23 5.02 -0.87 -4.27 118.16 120.04 2yrr n LYS 121 Ca 0.03 -0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 2yrr n LYS 121 Cb 0.18 -1.65 -0.07 0.00 -0.02 0.00 0.00 35.03 33.47 2yrr n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yrr h ARG 122 N 0.00 0.80 -3.19 1.97 2.47 -1.14 -3.47 114.38 111.82 2yrr h ARG 122 Ca 0.00 -0.65 -0.08 0.00 -1.26 0.00 0.00 59.98 57.99 2yrr h ARG 122 Cb 0.94 0.13 -0.16 0.00 -1.65 0.00 0.00 29.97 29.23 2yrr h ARG 122 CO 0.00 1.26 -0.16 0.50 0.56 0.00 0.00 179.97 182.13 2yrr s ARG 123 N -3.77 0.90 -0.04 0.04 3.52 -1.20 -5.14 118.95 113.25 2yrr s ARG 123 Ca -0.10 -0.47 -0.25 0.00 -0.13 0.00 0.00 55.73 54.78 2yrr s ARG 123 Cb 0.09 0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 33.83 2yrr s ARG 123 CO 0.90 -0.31 0.75 -0.98 -0.81 0.00 0.00 175.30 174.86 2yrr s ARG 124 N -2.69 4.46 0.05 5.12 1.70 -1.26 -4.69 118.95 121.63 2yrr s ARG 124 Ca -0.04 0.99 0.08 0.00 -0.47 0.00 0.00 55.73 56.29 2yrr s ARG 124 Cb -0.00 -3.44 -0.03 0.00 -0.57 0.00 0.00 34.95 30.91 2yrr s ARG 124 CO -0.04 0.08 -0.23 0.71 -1.08 0.00 0.00 175.30 174.74 2yrr s TYR 125 N 0.71 2.43 0.17 5.89 2.02 -1.26 -4.61 117.35 122.70 2yrr s TYR 125 Ca 0.40 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 2yrr s TYR 125 Cb -0.19 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 2yrr s TYR 125 CO 0.20 0.19 1.39 -0.09 -1.57 0.00 0.00 175.55 175.67 2yrr h ARG 126 N 4.64 0.13 -2.88 -0.62 9.65 -1.38 -3.39 114.38 120.54 2yrr h ARG 126 Ca -0.47 -0.15 -0.10 0.00 -1.10 0.00 0.00 59.98 58.16 2yrr h ARG 126 Cb 1.15 0.04 -0.19 0.00 -1.39 0.00 0.00 29.97 29.59 2yrr h ARG 126 CO 0.45 0.92 -0.16 1.41 2.80 0.00 0.00 179.97 185.40 2yrr s MET 127 N -3.16 0.80 -0.13 0.20 0.00 -1.19 -1.23 119.30 114.59 2yrr s MET 127 Ca -0.02 -0.18 0.03 0.00 0.00 0.00 0.00 55.69 55.52 2yrr s MET 127 Cb 0.10 0.36 0.01 0.00 0.00 0.00 0.00 34.83 35.30 2yrr s MET 127 CO 0.82 -0.24 -0.22 0.08 0.00 0.00 0.00 175.02 175.45 2yrr s VAL 128 N -1.67 2.08 -0.12 10.11 1.01 -0.02 -0.85 120.40 130.94 2yrr s VAL 128 Ca -0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 2yrr s VAL 128 Cb -0.03 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2yrr s VAL 128 CO 0.03 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 175.59 2yrr s ALA 129 N 0.65 2.80 0.03 5.51 0.00 0.11 -0.97 121.76 129.89 2yrr s ALA 129 Ca -0.11 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 2yrr s ALA 129 Cb -0.16 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 2yrr s ALA 129 CO 0.02 0.34 0.02 -1.17 0.00 0.00 0.00 175.76 174.96 2yrr s LEU 130 N 0.01 2.10 -0.25 0.00 2.96 -0.43 -0.86 118.68 122.22 2yrr s LEU 130 Ca -0.02 -0.57 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 2yrr s LEU 130 Cb -0.14 0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.84 2yrr s LEU 130 CO 0.04 -0.41 0.05 -0.69 -1.32 0.00 0.00 176.35 174.01 2yrr s VAL 131 N -2.19 4.09 0.11 1.68 1.01 -1.26 -1.27 120.40 122.58 2yrr s VAL 131 Ca -0.09 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 2yrr s VAL 131 Cb -0.04 -2.93 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 2yrr s VAL 131 CO -0.03 0.32 1.69 -0.74 0.00 0.00 0.00 175.10 176.34 2yrr h HIS 132 N 8.22 -0.25 -3.55 5.22 2.76 -1.26 -3.40 115.15 122.89 2yrr h HIS 132 Ca -0.38 0.01 -0.59 0.00 -2.20 0.00 0.00 60.37 57.20 2yrr h HIS 132 Cb 1.17 0.11 -0.39 0.00 1.55 0.00 0.00 27.41 29.85 2yrr h HIS 132 CO 0.65 -0.15 -0.78 0.20 -1.30 0.00 0.00 177.93 176.55 2yrr s GLY 133 N -2.43 1.20 -0.69 5.26 0.00 -1.26 -0.79 107.32 108.61 2yrr s GLY 133 Ca -0.14 -1.29 -0.27 0.00 0.00 0.00 0.00 44.72 43.02 2yrr s GLY 133 CO 0.67 1.05 1.39 1.85 0.00 0.00 0.00 173.10 178.05 2yrr s GLU 134 N 1.47 3.12 0.52 2.90 2.56 -0.30 -4.52 118.70 124.45 2yrr s GLU 134 Ca -0.04 -0.00 0.19 0.00 0.00 0.00 0.00 54.97 55.12 2yrr s GLU 134 Cb -0.18 -4.20 1.34 0.00 2.00 0.00 0.00 34.13 33.09 2yrr s GLU 134 CO -0.07 -2.21 2.14 1.15 -0.56 0.00 0.00 175.26 175.71 2yrr h THR 135 N 6.22 0.91 0.00 -1.70 2.02 -1.97 0.12 112.91 118.50 2yrr h THR 135 Ca -0.27 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2yrr h THR 135 Cb 1.07 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2yrr h THR 135 CO 1.25 0.04 -0.07 0.77 0.37 0.00 0.00 175.52 177.89 2yrr h SER 136 N 0.00 0.00 0.00 4.18 4.64 -1.89 -3.32 113.55 117.16 2yrr h SER 136 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2yrr h SER 136 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2yrr h SER 136 CO 0.00 0.07 -0.51 0.35 -0.87 0.00 0.00 176.83 175.87 2yrr n THR 137 N -3.17 0.00 -2.05 2.95 -2.24 -0.95 -4.58 114.28 104.24 2yrr n THR 137 Ca 0.01 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 2yrr n THR 137 Cb 0.39 0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 69.34 2yrr n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yrr n GLY 138 N 1.73 0.20 3.52 3.38 0.00 0.36 -4.08 105.19 110.31 2yrr n GLY 138 Ca 0.00 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 2yrr n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yrr s VAL 139 N -2.23 3.71 -0.33 1.61 1.01 -1.14 0.38 120.40 123.41 2yrr s VAL 139 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 2yrr s VAL 139 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2yrr s VAL 139 CO 0.00 0.55 0.25 -0.22 0.00 0.00 0.00 175.10 175.67 2yrr s LEU 140 N -0.20 4.44 0.41 3.92 2.96 0.98 -1.16 118.68 130.04 2yrr s LEU 140 Ca 0.03 -0.34 -0.13 0.00 -0.22 0.00 0.00 54.13 53.47 2yrr s LEU 140 Cb -0.13 -2.16 -0.07 0.00 0.50 0.00 0.00 46.19 44.33 2yrr s LEU 140 CO 0.03 -0.22 0.81 0.20 -1.32 0.00 0.00 176.35 175.85 2yrr s ASN 141 N 1.73 6.62 -1.33 3.68 0.01 0.03 -4.84 114.94 120.84 2yrr s ASN 141 Ca 0.07 1.28 -0.16 0.00 -0.71 0.00 0.00 52.86 53.34 2yrr s ASN 141 Cb -0.17 -2.38 0.01 0.00 0.41 0.00 0.00 41.25 39.12 2yrr s ASN 141 CO 0.11 -0.39 2.13 -0.81 -1.51 0.00 0.00 177.10 176.63 2yrr n PRO 142 N -1.10 2.65 -0.25 -0.60 -0.04 -1.26 -4.80 135.00 129.58 2yrr n PRO 142 Ca 0.04 -2.54 0.02 0.00 -0.04 0.00 0.00 63.50 60.97 2yrr n PRO 142 Cb 0.54 -3.26 0.14 0.00 -0.04 0.00 0.00 33.50 30.88 2yrr n PRO 142 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yrr h ALA 143 N 6.52 1.02 -0.13 0.55 0.00 -1.93 -2.35 119.26 122.94 2yrr h ALA 143 Ca 0.53 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2yrr h ALA 143 Cb 0.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2yrr h ALA 143 CO 1.85 -0.01 0.08 1.49 0.00 0.00 0.00 179.25 182.66 2yrr h GLU 144 N 0.65 0.18 -0.86 0.00 4.81 -1.87 0.34 114.58 117.82 2yrr h GLU 144 Ca 0.36 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2yrr h GLU 144 Cb 0.36 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2yrr h GLU 144 CO -0.26 0.13 0.53 0.00 -0.73 0.00 0.00 179.01 178.68 2yrr h ALA 145 N 1.03 1.10 -0.31 2.92 0.00 -1.88 -2.11 119.26 120.01 2yrr h ALA 145 Ca 0.05 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2yrr h ALA 145 Cb -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2yrr h ALA 145 CO -0.01 0.55 -0.36 0.82 0.00 0.00 0.00 179.25 180.25 2yrr h ILE 146 N 1.18 1.29 -0.77 0.00 2.04 -1.16 -2.63 117.51 117.46 2yrr h ILE 146 Ca 0.31 -1.52 0.02 0.00 1.00 0.00 0.00 64.86 64.68 2yrr h ILE 146 Cb -0.06 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 2yrr h ILE 146 CO -0.06 0.49 0.50 1.23 0.00 0.00 0.00 178.15 180.31 2yrr h GLY 147 N 0.97 1.11 1.02 5.37 0.00 -0.44 0.78 103.07 111.87 2yrr h GLY 147 Ca 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2yrr h GLY 147 CO 0.08 0.34 0.43 0.00 0.00 0.00 0.00 176.54 177.39 2yrr h ALA 148 N 1.31 1.01 -0.58 3.60 0.00 -1.24 -0.34 119.26 123.02 2yrr h ALA 148 Ca 0.30 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2yrr h ALA 148 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2yrr h ALA 148 CO -0.09 0.52 -0.02 -0.07 0.00 0.00 0.00 179.25 179.59 2yrr h LEU 149 N 1.09 1.01 -0.47 0.00 3.38 -0.98 -2.04 115.31 117.31 2yrr h LEU 149 Ca 0.28 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2yrr h LEU 149 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2yrr h LEU 149 CO -0.04 1.07 0.14 0.00 0.09 0.00 0.00 178.44 179.70 2yrr h ALA 150 N 1.02 0.61 -0.63 1.53 0.00 -0.30 -1.97 119.26 119.52 2yrr h ALA 150 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2yrr h ALA 150 Cb 0.57 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2yrr h ALA 150 CO 0.03 0.26 0.32 1.57 0.00 0.00 0.00 179.25 181.43 2yrr h LYS 151 N 0.62 0.90 -0.96 0.00 -0.00 -0.93 -0.86 116.57 115.33 2yrr h LYS 151 Ca 0.15 -0.13 0.02 0.00 -0.00 0.00 0.00 60.65 60.69 2yrr h LYS 151 Cb 0.27 -0.17 -0.05 0.00 -0.00 0.00 0.00 32.23 32.28 2yrr h LYS 151 CO -0.00 0.71 0.64 0.93 -0.00 0.00 0.00 179.45 181.72 2yrr h GLU 152 N 0.87 1.24 0.00 0.07 5.08 -1.16 -1.64 114.58 119.04 2yrr h GLU 152 Ca 0.22 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2yrr h GLU 152 Cb 0.10 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2yrr h GLU 152 CO -0.03 0.82 0.00 0.00 -1.00 0.00 0.00 179.01 178.80 2yrr n ALA 153 N -2.37 2.30 -1.41 3.43 0.00 -0.76 -4.89 120.51 116.82 2yrr n ALA 153 Ca 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 2yrr n ALA 153 Cb 0.03 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 2yrr n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yrr n GLY 154 N 0.85 0.64 3.74 0.00 0.00 -0.62 -4.81 105.19 104.99 2yrr n GLY 154 Ca 0.13 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 2yrr n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrr s ALA 155 N -2.23 3.47 0.63 4.61 0.00 -0.40 -4.91 121.76 122.93 2yrr s ALA 155 Ca 0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 50.95 2yrr s ALA 155 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2yrr s ALA 155 CO 0.00 0.64 1.20 -0.51 0.00 0.00 0.00 175.76 177.09 2yrr s LEU 156 N -1.34 3.58 -0.30 0.00 1.43 -0.37 -4.21 118.68 117.47 2yrr s LEU 156 Ca 0.18 2.36 -0.01 0.00 -1.03 0.00 0.00 54.13 55.63 2yrr s LEU 156 Cb -0.12 -4.59 0.05 0.00 0.03 0.00 0.00 46.19 41.56 2yrr s LEU 156 CO 0.08 -1.73 -0.01 0.12 0.23 0.00 0.00 176.35 175.03 2yrr s PHE 157 N -1.72 3.27 -0.21 0.29 5.36 -1.26 -0.84 117.98 122.86 2yrr s PHE 157 Ca 0.76 -1.95 -0.17 0.00 -0.96 0.00 0.00 56.93 54.61 2yrr s PHE 157 Cb -0.30 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.25 2yrr s PHE 157 CO 0.36 -0.82 0.46 0.12 -1.46 0.00 0.00 175.22 173.89 2yrr s PHE 158 N 1.23 3.35 -0.09 10.12 5.36 -0.14 -0.37 117.98 137.45 2yrr s PHE 158 Ca -0.06 0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 56.58 2yrr s PHE 158 Cb -0.20 -2.61 0.03 0.00 -0.34 0.00 0.00 43.02 39.90 2yrr s PHE 158 CO -0.02 -0.09 -0.01 -1.17 -1.46 0.00 0.00 175.22 172.47 2yrr s LEU 159 N 1.61 0.76 -0.37 6.12 2.96 0.11 -1.31 118.68 128.55 2yrr s LEU 159 Ca 0.21 -0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 53.65 2yrr s LEU 159 Cb -0.15 -0.54 0.01 0.00 0.50 0.00 0.00 46.19 46.01 2yrr s LEU 159 CO 0.09 -0.18 1.29 -0.62 -1.32 0.00 0.00 176.35 175.60 2yrr s ASP 160 N 1.90 6.58 -0.20 3.68 -1.08 -0.39 -3.21 116.67 123.94 2yrr s ASP 160 Ca 0.05 0.92 0.15 0.00 -0.52 0.00 0.00 52.55 53.16 2yrr s ASP 160 Cb -0.13 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.39 2yrr s ASP 160 CO -0.06 -1.21 1.51 0.00 0.52 0.00 0.00 175.17 175.93 2yrr n ALA 161 N 7.99 3.32 -0.22 3.66 0.00 -0.34 -0.70 120.51 134.22 2yrr n ALA 161 Ca 0.15 -2.29 0.03 0.00 0.00 0.00 0.00 53.44 51.32 2yrr n ALA 161 Cb 0.48 -0.82 0.14 0.00 0.00 0.00 0.00 19.45 19.24 2yrr n ALA 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2yrr h VAL 162 N 2.22 0.57 -0.43 0.00 2.07 -1.89 0.83 116.25 119.62 2yrr h VAL 162 Ca 0.03 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2yrr h VAL 162 Cb 1.61 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2yrr h VAL 162 CO 0.31 0.05 0.00 0.35 0.02 0.00 0.00 177.57 178.30 2yrr n THR 163 N -5.15 0.57 0.00 2.57 -2.24 -1.26 -4.08 114.28 104.69 2yrr n THR 163 Ca 0.11 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2yrr n THR 163 Cb 0.38 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2yrr n THR 163 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2yrr n THR 164 N 0.86 0.00 -1.68 4.28 -2.24 -0.78 -4.70 114.28 110.03 2yrr n THR 164 Ca 0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.52 2yrr n THR 164 Cb 0.41 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 2yrr n THR 164 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2yrr n LEU 165 N -2.41 4.07 0.00 3.22 7.94 0.21 -1.02 117.00 129.01 2yrr n LEU 165 Ca 0.00 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 2yrr n LEU 165 Cb 0.32 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.74 2yrr n LEU 165 CO 0.00 0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 2yrr n GLY 166 N 4.36 0.64 0.00 -3.96 0.00 -1.26 -4.54 105.19 100.43 2yrr n GLY 166 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2yrr n GLY 166 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2yrr n MET 167 N -2.01 0.00 -4.45 1.61 1.56 -0.35 -4.78 117.12 108.70 2yrr n MET 167 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.20 2yrr n MET 167 Cb 0.00 -0.48 -0.10 0.00 2.15 0.00 0.00 33.22 34.79 2yrr n MET 167 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2yrr s LEU 168 N -1.57 2.59 0.31 -0.89 1.43 -0.19 -1.52 118.68 118.85 2yrr s LEU 168 Ca 0.00 -1.08 -0.28 0.00 -1.03 0.00 0.00 54.13 51.74 2yrr s LEU 168 Cb 0.00 -0.91 -0.13 0.00 0.03 0.00 0.00 46.19 45.18 2yrr s LEU 168 CO 0.00 -0.11 1.13 -2.65 0.23 0.00 0.00 176.35 174.95 2yrr n PRO 169 N -0.59 1.70 -3.66 1.29 -0.02 -1.26 -4.69 135.00 127.76 2yrr n PRO 169 Ca -0.06 0.59 -0.10 0.00 -2.02 0.00 0.00 63.50 61.91 2yrr n PRO 169 Cb 0.61 -2.06 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 2yrr n PRO 169 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2yrr s PHE 170 N -1.08 -0.82 -0.27 6.00 5.36 -1.26 -4.96 117.98 120.95 2yrr s PHE 170 Ca 0.57 1.78 -0.06 0.00 -0.96 0.00 0.00 56.93 58.26 2yrr s PHE 170 Cb -0.64 0.40 0.14 0.00 -0.34 0.00 0.00 43.02 42.58 2yrr s PHE 170 CO 0.61 -0.41 0.56 0.45 -1.46 0.00 0.00 175.22 174.97 2yrr s SER 171 N 1.07 -0.90 0.16 6.13 0.15 -1.26 -4.75 113.70 114.30 2yrr s SER 171 Ca -0.06 1.11 -0.13 0.00 0.70 0.00 0.00 55.95 57.57 2yrr s SER 171 Cb -0.05 1.96 0.05 0.00 -1.71 0.00 0.00 66.02 66.27 2yrr s SER 171 CO -0.10 -0.24 1.75 0.24 1.20 0.00 0.00 173.24 176.08 2yrr h MET 172 N 8.05 0.77 0.06 5.44 2.86 -0.85 -0.92 114.93 130.34 2yrr h MET 172 Ca -0.19 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.35 2yrr h MET 172 Cb 1.13 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.62 2yrr h MET 172 CO 0.17 0.63 -0.17 0.00 1.06 0.00 0.00 176.91 178.60 2yrr h ARG 173 N 0.71 -0.30 -0.46 1.72 3.08 -1.61 0.23 114.38 117.76 2yrr h ARG 173 Ca 0.18 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2yrr h ARG 173 Cb 0.12 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2yrr h ARG 173 CO -0.02 -0.20 0.24 0.00 -1.07 0.00 0.00 179.97 178.92 2yrr h ALA 174 N 0.56 0.59 -0.18 0.04 0.00 -1.83 -2.67 119.26 115.77 2yrr h ALA 174 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2yrr h ALA 174 Cb 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2yrr h ALA 174 CO -0.12 0.12 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 2yrr n MET 175 N -4.67 1.54 -3.48 0.00 2.81 -0.36 -4.92 117.12 108.04 2yrr n MET 175 Ca 0.01 -0.83 -0.25 0.00 -1.81 0.00 0.00 57.70 54.82 2yrr n MET 175 Cb 0.09 -1.29 0.04 0.00 -0.71 0.00 0.00 33.22 31.36 2yrr n MET 175 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2yrr n GLY 176 N 0.97 -0.52 3.76 3.03 0.00 0.56 -4.19 105.19 108.80 2yrr n GLY 176 Ca 0.12 0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 2yrr n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yrr s VAL 177 N -3.23 4.59 -0.12 1.61 1.01 0.21 -4.45 120.40 120.02 2yrr s VAL 177 Ca 0.50 1.67 0.16 0.00 0.00 0.00 0.00 61.98 64.31 2yrr s VAL 177 Cb -0.24 -4.13 -0.23 0.00 0.00 0.00 0.00 36.38 31.79 2yrr s VAL 177 CO 0.62 0.42 0.15 0.47 0.00 0.00 0.00 175.10 176.77 2yrr n ASP 178 N 2.34 0.92 -3.69 3.32 8.00 0.51 -4.71 116.55 123.24 2yrr n ASP 178 Ca -0.04 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.29 2yrr n ASP 178 Cb 0.50 1.17 -0.16 0.00 -0.02 0.00 0.00 41.12 42.61 2yrr n ASP 178 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2yrr s TYR 179 N -2.64 -0.07 0.08 1.24 5.04 -0.91 -0.38 117.35 119.71 2yrr s TYR 179 Ca -0.08 0.42 0.04 0.00 -2.44 0.00 0.00 57.07 55.02 2yrr s TYR 179 Cb 0.07 -0.30 -0.03 0.00 0.35 0.00 0.00 41.96 42.05 2yrr s TYR 179 CO 0.70 -0.21 -0.12 0.00 -1.34 0.00 0.00 175.55 174.58 2yrr s ALA 180 N 1.91 1.12 0.27 3.97 0.00 -0.55 0.06 121.76 128.53 2yrr s ALA 180 Ca 0.00 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 50.70 2yrr s ALA 180 Cb -0.12 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2yrr s ALA 180 CO -0.05 0.08 0.71 -0.59 0.00 0.00 0.00 175.76 175.92 2yrr s PHE 181 N -1.70 -0.22 0.26 0.00 -0.12 -1.20 -1.21 117.98 113.80 2yrr s PHE 181 Ca 0.00 -0.22 -0.16 0.00 -0.05 0.00 0.00 56.93 56.50 2yrr s PHE 181 Cb -0.08 0.70 0.06 0.00 -0.63 0.00 0.00 43.02 43.07 2yrr s PHE 181 CO 0.02 -1.20 0.81 -2.37 -0.05 0.00 0.00 175.22 172.42 2yrr n THR 182 N -0.45 0.00 -4.34 -4.49 5.66 -0.79 -1.20 114.28 108.66 2yrr n THR 182 Ca -0.05 -0.70 -0.26 0.00 -3.05 0.00 0.00 64.05 59.99 2yrr n THR 182 Cb 0.60 0.79 -0.10 0.00 -1.55 0.00 0.00 70.33 70.07 2yrr n THR 182 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2yrr s GLY 183 N -3.05 1.73 0.40 1.09 0.00 -1.26 -2.86 107.32 103.38 2yrr s GLY 183 Ca 0.17 -1.59 0.18 0.00 0.00 0.00 0.00 44.72 43.48 2yrr s GLY 183 CO 0.08 -1.62 1.84 1.48 0.00 0.00 0.00 173.10 174.88 2yrr h SER 184 N 2.76 0.00 -0.33 1.64 4.64 -1.44 -3.22 113.55 117.59 2yrr h SER 184 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2yrr h SER 184 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2yrr h SER 184 CO 0.54 0.33 0.00 0.00 -0.87 0.00 0.00 176.83 176.83 2yrr n GLN 185 N -3.82 1.80 0.00 4.77 0.00 -1.21 -1.20 117.38 117.73 2yrr n GLN 185 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 57.00 55.78 2yrr n GLN 185 Cb 0.41 -1.28 0.00 0.00 0.00 0.00 0.00 30.24 29.37 2yrr n GLN 185 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2yrr n LYS 186 N 0.47 0.00 0.16 2.61 4.76 -1.22 -2.39 118.16 122.55 2yrr n LYS 186 Ca 0.11 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.73 2yrr n LYS 186 Cb 0.29 0.00 0.79 0.00 -1.84 0.00 0.00 35.03 34.27 2yrr n LYS 186 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2yrr n LEU 188 N -3.85 0.47 -3.35 0.00 4.77 -1.26 -3.41 117.00 110.36 2yrr n LEU 188 Ca 0.04 0.59 -0.24 0.00 -0.03 0.00 0.00 56.01 56.37 2yrr n LEU 188 Cb 0.42 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 2yrr n LEU 188 CO 0.28 -0.34 -0.01 -1.20 -1.33 0.00 0.00 177.39 174.80 2yrr n SER 189 N -1.99 -4.42 -4.88 -1.43 7.64 0.06 -4.76 113.62 103.84 2yrr n SER 189 Ca 0.04 -0.42 -0.21 0.00 1.01 0.00 0.00 58.87 59.30 2yrr n SER 189 Cb 0.27 -3.61 -0.03 0.00 -1.01 0.00 0.00 64.21 59.84 2yrr n SER 189 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yrr s ALA 190 N -3.03 4.08 0.34 -0.43 0.00 -0.34 -4.23 121.76 118.15 2yrr s ALA 190 Ca 0.41 -1.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.23 2yrr s ALA 190 Cb -0.21 -1.08 -0.10 0.00 0.00 0.00 0.00 23.12 21.73 2yrr s ALA 190 CO 0.51 -0.21 1.35 -2.14 0.00 0.00 0.00 175.76 175.27 2yrr s PRO 191 N -4.14 4.29 0.72 0.00 0.02 -1.26 -3.29 135.00 131.34 2yrr s PRO 191 Ca 0.48 2.30 -0.14 0.00 0.02 0.00 0.00 61.00 63.66 2yrr s PRO 191 Cb -0.04 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.47 2yrr s PRO 191 CO 0.28 -0.27 1.15 -1.25 -0.33 0.00 0.00 177.00 176.58 2yrr s PRO 192 N -1.87 2.34 0.00 5.54 0.04 -1.26 -4.32 135.00 135.47 2yrr s PRO 192 Ca 0.50 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2yrr s PRO 192 Cb -0.41 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2yrr s PRO 192 CO 0.55 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 176.37 2yrr n GLY 193 N -0.11 0.80 3.26 0.56 0.00 -1.26 -4.97 105.19 103.47 2yrr n GLY 193 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2yrr n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yrr s LEU 194 N 0.00 2.37 -0.35 0.99 1.43 -0.84 -1.43 118.68 120.84 2yrr s LEU 194 Ca 0.00 -0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 52.33 2yrr s LEU 194 Cb 0.00 -0.67 0.12 0.00 0.03 0.00 0.00 46.19 45.67 2yrr s LEU 194 CO 0.00 -0.07 0.16 0.00 0.23 0.00 0.00 176.35 176.67 2yrr s ALA 195 N -1.79 1.56 0.27 4.21 0.00 -0.05 -1.19 121.76 124.77 2yrr s ALA 195 Ca 0.08 -1.93 -0.30 0.00 0.00 0.00 0.00 51.96 49.81 2yrr s ALA 195 Cb -0.07 -1.68 -0.11 0.00 0.00 0.00 0.00 23.12 21.26 2yrr s ALA 195 CO 0.04 -1.85 1.58 -2.14 0.00 0.00 0.00 175.76 173.38 2yrr s PRO 196 N 1.20 4.15 0.06 0.00 0.02 -1.13 -1.12 135.00 138.17 2yrr s PRO 196 Ca 0.13 2.53 -0.00 0.00 0.02 0.00 0.00 61.00 63.68 2yrr s PRO 196 Cb -0.20 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 2yrr s PRO 196 CO -0.14 -0.60 -0.04 0.96 -0.33 0.00 0.00 177.00 176.84 2yrr s ILE 197 N 0.12 0.32 -0.14 2.83 -5.25 0.83 -1.89 121.20 118.03 2yrr s ILE 197 Ca 0.64 -1.75 -0.06 0.00 -0.99 0.00 0.00 60.65 58.49 2yrr s ILE 197 Cb -0.47 -1.44 0.06 0.00 2.95 0.00 0.00 42.46 43.56 2yrr s ILE 197 CO 0.45 -0.92 0.30 0.00 -1.79 0.00 0.00 174.94 172.98 2yrr s ALA 198 N -3.61 -0.71 -0.15 2.27 0.00 -0.35 -2.10 121.76 117.11 2yrr s ALA 198 Ca 0.06 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.15 2yrr s ALA 198 Cb 0.06 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.28 2yrr s ALA 198 CO -0.08 -0.45 -0.17 0.00 0.00 0.00 0.00 175.76 175.06 2yrr s ALA 199 N 1.90 2.03 0.95 0.00 0.00 -0.19 -1.48 121.76 124.97 2yrr s ALA 199 Ca -0.04 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 2yrr s ALA 199 Cb -0.11 -1.06 0.16 0.00 0.00 0.00 0.00 23.12 22.11 2yrr s ALA 199 CO -0.10 -0.29 1.10 -1.54 0.00 0.00 0.00 175.76 174.93 2yrr s SER 200 N 1.28 2.84 0.27 0.00 1.04 0.49 -0.65 113.70 118.98 2yrr s SER 200 Ca 0.02 1.78 -0.00 0.00 0.48 0.00 0.00 55.95 58.23 2yrr s SER 200 Cb -0.13 -2.39 0.51 0.00 0.10 0.00 0.00 66.02 64.11 2yrr s SER 200 CO -0.09 -3.08 1.82 0.25 0.98 0.00 0.00 173.24 173.12 2yrr h LEU 201 N -1.86 0.84 -1.04 2.42 6.46 -1.78 -0.72 115.31 119.63 2yrr h LEU 201 Ca -0.49 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.26 2yrr h LEU 201 Cb 1.28 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.08 2yrr h LEU 201 CO 0.49 0.45 0.02 -0.33 -0.62 0.00 0.00 178.44 178.44 2yrr h GLU 202 N 0.92 0.70 -0.42 1.25 4.39 -1.93 -1.24 114.58 118.25 2yrr h GLU 202 Ca 0.47 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.92 2yrr h GLU 202 Cb 0.47 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2yrr h GLU 202 CO -0.27 0.70 -0.06 0.00 -1.16 0.00 0.00 179.01 178.22 2yrr h ALA 203 N 1.36 0.57 -0.80 3.43 0.00 -1.43 -2.61 119.26 119.77 2yrr h ALA 203 Ca 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2yrr h ALA 203 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2yrr h ALA 203 CO 0.01 0.41 0.48 0.00 0.00 0.00 0.00 179.25 180.15 2yrr h ARG 204 N 0.60 1.10 -0.63 0.00 3.08 -0.85 0.50 114.38 118.18 2yrr h ARG 204 Ca 0.11 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2yrr h ARG 204 Cb 0.58 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2yrr h ARG 204 CO 0.03 0.78 0.40 0.87 -1.07 0.00 0.00 179.97 180.98 2yrr h LYS 205 N 1.11 0.83 0.00 0.04 1.57 -1.10 -2.19 116.57 116.82 2yrr h LYS 205 Ca 0.29 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2yrr h LYS 205 Cb -0.03 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2yrr h LYS 205 CO -0.05 0.57 -0.69 0.00 -0.57 0.00 0.00 179.45 178.71 2yrr h ALA 206 N 1.59 0.60 -0.24 3.86 0.00 -0.91 -3.41 119.26 120.74 2yrr h ALA 206 Ca 0.23 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.43 2yrr h ALA 206 Cb -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2yrr h ALA 206 CO -0.05 0.00 2.88 1.19 0.00 0.00 0.00 179.25 183.27 2yrr n PHE 207 N -2.38 3.73 0.05 0.00 0.99 0.17 -1.77 117.46 118.25 2yrr n PHE 207 Ca 0.02 -2.95 0.02 0.00 -0.00 0.00 0.00 57.45 54.54 2yrr n PHE 207 Cb 0.48 -2.53 0.04 0.00 -1.00 0.00 0.00 39.48 36.47 2yrr n PHE 207 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2yrr n THR 208 N 5.23 0.51 -2.41 4.37 -2.24 -0.77 -4.89 114.28 114.07 2yrr n THR 208 Ca 0.50 -0.76 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 2yrr n THR 208 Cb 0.40 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 2yrr n THR 208 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2yrr s GLY 209 N -0.67 3.03 -0.38 3.38 0.00 -0.22 -4.86 107.32 107.59 2yrr s GLY 209 Ca 0.07 0.95 0.03 0.00 0.00 0.00 0.00 44.72 45.77 2yrr s GLY 209 CO 0.05 1.55 0.12 0.54 0.00 0.00 0.00 173.10 175.36 2yrr s LYS 210 N -1.60 1.46 0.00 2.90 -0.14 -1.26 -4.49 119.74 116.61 2yrr s LYS 210 Ca 0.46 -1.94 0.00 0.00 -1.36 0.00 0.00 55.97 53.14 2yrr s LYS 210 Cb -0.33 -2.98 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 2yrr s LYS 210 CO 0.42 -1.00 0.00 0.54 -0.76 0.00 0.00 175.35 174.55 2yrr n ARG 211 N 4.02 3.28 -3.83 1.68 1.74 -1.26 -5.08 116.66 117.21 2yrr n ARG 211 Ca 0.04 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 2yrr n ARG 211 Cb 0.39 -0.54 -0.10 0.00 -1.02 0.00 0.00 32.46 31.20 2yrr n ARG 211 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2yrr s GLY 212 N -0.86 -0.03 -0.16 -0.13 0.00 -1.26 -5.08 107.32 99.80 2yrr s GLY 212 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 44.72 44.64 2yrr s GLY 212 CO 0.00 -0.08 0.11 -0.25 0.00 0.00 0.00 173.10 172.88 2yrr h TRP 213 N 4.30 0.00 -0.97 1.90 7.01 -1.98 -3.25 115.95 122.96 2yrr h TRP 213 Ca -0.30 0.00 0.05 0.00 2.11 0.00 0.00 58.89 60.75 2yrr h TRP 213 Cb 1.19 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 28.19 2yrr h TRP 213 CO 0.56 0.69 0.63 -0.92 -2.79 0.00 0.00 178.44 176.60 2yrr h TYR 214 N -1.00 1.16 -0.54 2.65 3.20 -2.03 -2.23 116.97 118.18 2yrr h TYR 214 Ca -0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2yrr h TYR 214 Cb 0.80 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2yrr h TYR 214 CO -0.01 0.64 0.00 1.47 -1.64 0.00 0.00 178.16 178.62 2yrr n LEU 215 N -4.47 3.92 -4.60 2.82 -0.00 -1.26 -4.90 117.00 108.51 2yrr n LEU 215 Ca 0.14 -1.97 -0.43 0.00 -0.00 0.00 0.00 56.01 53.75 2yrr n LEU 215 Cb 0.15 -0.51 -0.03 0.00 -0.00 0.00 0.00 43.42 43.03 2yrr n LEU 215 CO 0.33 0.70 1.45 -0.62 -0.00 0.00 0.00 177.39 179.25 2yrr s ASP 216 N -0.84 6.04 0.52 1.45 -1.08 -0.84 -4.80 116.67 117.12 2yrr s ASP 216 Ca 0.42 1.24 0.34 0.00 -0.52 0.00 0.00 52.55 54.03 2yrr s ASP 216 Cb 0.26 -2.53 1.57 0.00 -1.46 0.00 0.00 42.92 40.76 2yrr s ASP 216 CO 0.21 -1.60 2.02 -0.07 0.52 0.00 0.00 175.17 176.25 2yrr h LEU 217 N 13.13 0.00 -0.21 -1.34 3.38 -1.90 -1.67 115.31 126.70 2yrr h LEU 217 Ca -0.32 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.43 2yrr h LEU 217 Cb 1.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.91 2yrr h LEU 217 CO 1.04 0.00 -0.76 0.00 0.09 0.00 0.00 178.44 178.81 2yrr h ALA 218 N 2.04 0.37 -0.32 1.53 0.00 -1.91 -0.91 119.26 120.05 2yrr h ALA 218 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 2yrr h ALA 218 Cb 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2yrr h ALA 218 CO 0.00 0.70 -0.34 0.00 0.00 0.00 0.00 179.25 179.61 2yrr h ARG 219 N 0.51 0.72 -0.65 0.00 3.08 -1.73 -2.29 114.38 114.02 2yrr h ARG 219 Ca -0.04 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.59 2yrr h ARG 219 Cb 1.38 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.39 2yrr h ARG 219 CO 0.15 0.95 0.12 0.28 -1.07 0.00 0.00 179.97 180.41 2yrr h VAL 220 N 0.61 1.26 -0.55 2.04 2.07 -1.23 -2.76 116.25 117.69 2yrr h VAL 220 Ca 0.06 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2yrr h VAL 220 Cb 0.87 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2yrr h VAL 220 CO 0.08 0.37 0.23 0.00 0.02 0.00 0.00 177.57 178.27 2yrr h ALA 221 N 1.14 0.71 -0.99 1.67 0.00 -0.95 -0.61 119.26 120.23 2yrr h ALA 221 Ca 0.20 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.14 2yrr h ALA 221 Cb 0.40 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 17.87 2yrr h ALA 221 CO 0.01 0.31 0.59 1.49 0.00 0.00 0.00 179.25 181.65 2yrr h GLU 222 N 0.74 0.72 0.08 0.00 4.57 -1.12 0.41 114.58 119.98 2yrr h GLU 222 Ca 0.18 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.19 2yrr h GLU 222 Cb 0.18 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2yrr h GLU 222 CO -0.02 0.48 -0.61 1.25 -1.18 0.00 0.00 179.01 178.93 2yrr h HIS 223 N 0.74 0.30 0.00 0.92 2.76 -1.34 -0.48 115.15 118.06 2yrr h HIS 223 Ca 0.57 -0.22 -0.11 0.00 -2.20 0.00 0.00 60.37 58.41 2yrr h HIS 223 Cb 0.88 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.81 2yrr h HIS 223 CO -0.02 1.24 -0.53 -1.49 -1.30 0.00 0.00 177.93 175.83 2yrr h TRP 224 N -0.63 0.00 0.00 5.26 4.06 -0.84 -1.79 115.95 122.01 2yrr h TRP 224 Ca -0.12 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.65 2yrr h TRP 224 Cb 1.40 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.53 2yrr h TRP 224 CO 0.21 0.53 -1.96 0.39 -3.56 0.00 0.00 178.44 174.05 2yrr n GLU 225 N -3.45 1.07 0.00 0.49 1.02 0.14 -4.66 120.64 115.25 2yrr n GLU 225 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2yrr n GLU 225 Cb 0.65 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 2yrr n GLU 225 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2yrr n ARG 226 N -2.39 1.42 -1.68 3.49 1.74 -0.95 -5.00 116.66 113.28 2yrr n ARG 226 Ca -0.17 -1.06 -0.18 0.00 -0.77 0.00 0.00 57.85 55.67 2yrr n ARG 226 Cb 0.79 -0.94 -0.07 0.00 -1.02 0.00 0.00 32.46 31.22 2yrr n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yrr n GLY 227 N -0.29 1.41 3.92 -0.13 0.00 -0.67 -4.92 105.19 104.51 2yrr n GLY 227 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2yrr n GLY 227 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yrr s GLY 228 N -2.69 1.67 -0.24 -0.02 0.00 -0.23 -4.93 107.32 100.88 2yrr s GLY 228 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 44.72 43.65 2yrr s GLY 228 CO 0.00 -0.37 0.51 -0.47 0.00 0.00 0.00 173.10 172.77 2yrr s TYR 229 N -3.51 3.30 0.00 1.90 5.04 -1.26 -3.99 117.35 118.83 2yrr s TYR 229 Ca 0.64 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.94 2yrr s TYR 229 Cb -0.09 -2.69 0.00 0.00 0.35 0.00 0.00 41.96 39.52 2yrr s TYR 229 CO 0.48 -0.21 0.00 1.58 -1.34 0.00 0.00 175.55 176.06 2yrr n HIS 230 N 5.26 0.00 -3.74 4.97 -0.00 -1.26 -4.91 115.22 115.54 2yrr n HIS 230 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.58 2yrr n HIS 230 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.46 2yrr n HIS 230 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2yrr s HIS 231 N -0.81 -0.15 0.20 1.57 -3.43 -1.26 -5.13 115.29 106.27 2yrr s HIS 231 Ca 0.00 -0.20 -0.31 0.00 -0.80 0.00 0.00 55.06 53.75 2yrr s HIS 231 Cb 0.00 0.46 -0.10 0.00 -1.43 0.00 0.00 32.58 31.50 2yrr s HIS 231 CO 0.00 -0.97 1.57 0.99 -2.00 0.00 0.00 174.74 174.33 2yrr s THR 232 N -3.88 2.48 0.30 -5.38 2.01 -1.26 -5.00 115.64 104.91 2yrr s THR 232 Ca 0.09 0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.46 2yrr s THR 232 Cb -0.02 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2yrr s THR 232 CO -0.02 0.04 0.48 0.42 -0.69 0.00 0.00 174.62 174.85 2yrr s THR 233 N 0.84 5.15 -1.34 -0.82 -4.23 -1.26 -4.99 115.64 109.00 2yrr s THR 233 Ca 0.68 -0.55 -0.16 0.00 -1.18 0.00 0.00 61.69 60.49 2yrr s THR 233 Cb -0.45 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 69.57 2yrr s THR 233 CO 0.35 -0.43 2.12 -0.81 -0.54 0.00 0.00 174.62 175.30 2yrr n PRO 234 N -1.48 2.68 -0.35 3.99 -0.04 -1.26 -4.83 135.00 133.72 2yrr n PRO 234 Ca -0.06 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.82 2yrr n PRO 234 Cb 0.56 -3.28 0.05 0.00 -0.04 0.00 0.00 33.50 30.79 2yrr n PRO 234 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2yrr n VAL 235 N 5.46 -0.46 -0.24 0.52 0.31 -1.26 -0.48 118.33 122.18 2yrr n VAL 235 Ca 0.51 2.12 0.01 0.00 -0.01 0.00 0.00 64.34 66.97 2yrr n VAL 235 Cb 0.40 -2.82 0.24 0.00 -0.91 0.00 0.00 33.84 30.75 2yrr n VAL 235 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2yrr h LEU 236 N 0.00 0.88 -1.26 7.52 3.38 -1.93 -0.36 115.31 123.53 2yrr h LEU 236 Ca 0.34 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 2yrr h LEU 236 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2yrr h LEU 236 CO -0.91 0.63 -0.33 -0.07 0.09 0.00 0.00 178.44 177.86 2yrr h LEU 237 N 1.04 0.07 -0.38 1.67 3.38 -1.17 -2.18 115.31 117.74 2yrr h LEU 237 Ca 0.30 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 2yrr h LEU 237 Cb -0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2yrr h LEU 237 CO -0.07 0.40 0.13 0.45 0.09 0.00 0.00 178.44 179.43 2yrr h HIS 238 N 0.06 0.60 -0.32 1.13 3.86 -0.32 0.60 115.15 120.75 2yrr h HIS 238 Ca 0.01 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2yrr h HIS 238 Cb 0.61 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 2yrr h HIS 238 CO 0.00 0.56 0.09 1.88 0.86 0.00 0.00 177.93 181.33 2yrr h TYR 239 N 0.46 0.16 -0.38 2.45 0.05 -0.87 -2.19 116.97 116.65 2yrr h TYR 239 Ca 0.12 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 2yrr h TYR 239 Cb 0.24 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 2yrr h TYR 239 CO 0.01 0.06 0.16 0.00 -1.05 0.00 0.00 178.16 177.34 2yrr h ALA 240 N 1.22 0.49 -0.67 3.88 0.00 -1.16 -2.57 119.26 120.45 2yrr h ALA 240 Ca 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2yrr h ALA 240 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2yrr h ALA 240 CO -0.17 0.08 0.40 1.25 0.00 0.00 0.00 179.25 180.81 2yrr h LEU 241 N 0.47 0.80 -0.80 0.00 5.85 -0.69 -0.03 115.31 120.92 2yrr h LEU 241 Ca 0.13 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2yrr h LEU 241 Cb 0.16 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2yrr h LEU 241 CO -0.01 0.62 0.43 0.25 -0.34 0.00 0.00 178.44 179.38 2yrr h LEU 242 N 0.90 1.00 -0.57 2.25 5.85 -1.33 0.16 115.31 123.58 2yrr h LEU 242 Ca 0.24 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2yrr h LEU 242 Cb -0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2yrr h LEU 242 CO -0.05 0.82 0.25 -0.08 -0.34 0.00 0.00 178.44 179.04 2yrr h GLU 243 N 1.11 0.84 -0.51 1.25 4.57 -1.01 -1.83 114.58 119.00 2yrr h GLU 243 Ca 0.28 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 2yrr h GLU 243 Cb 0.05 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2yrr h GLU 243 CO -0.04 0.71 0.10 0.00 -1.18 0.00 0.00 179.01 178.60 2yrr h ALA 244 N 1.09 0.68 -0.52 2.92 0.00 -0.44 -2.38 119.26 120.61 2yrr h ALA 244 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2yrr h ALA 244 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2yrr h ALA 244 CO -0.02 0.39 0.23 -0.07 0.00 0.00 0.00 179.25 179.78 2yrr h LEU 245 N 0.72 0.66 -0.45 0.00 3.38 -0.46 -1.84 115.31 117.32 2yrr h LEU 245 Ca 0.16 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2yrr h LEU 245 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2yrr h LEU 245 CO 0.01 0.58 -0.14 0.44 0.09 0.00 0.00 178.44 179.43 2yrr h ASP 246 N 0.73 0.89 -0.96 -0.43 3.32 -1.12 -2.06 116.42 116.80 2yrr h ASP 246 Ca 0.18 -0.37 0.06 0.00 0.02 0.00 0.00 57.03 56.92 2yrr h ASP 246 Cb 0.11 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 2yrr h ASP 246 CO -0.02 1.06 0.63 -0.07 -1.72 0.00 0.00 179.24 179.12 2yrr h LEU 247 N 0.71 1.00 0.07 1.55 3.38 -0.89 0.76 115.31 121.88 2yrr h LEU 247 Ca 0.11 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2yrr h LEU 247 Cb 0.69 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2yrr h LEU 247 CO 0.05 0.64 -0.03 0.58 0.09 0.00 0.00 178.44 179.77 2yrr h VAL 248 N 1.13 1.07 -0.05 1.22 2.07 -1.03 -2.53 116.25 118.12 2yrr h VAL 248 Ca 0.41 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 2yrr h VAL 248 Cb 0.15 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2yrr h VAL 248 CO -0.15 0.11 -0.34 -0.07 0.02 0.00 0.00 177.57 177.14 2yrr h LEU 249 N -0.29 0.10 -0.64 2.57 3.38 -1.02 0.61 115.31 120.03 2yrr h LEU 249 Ca -0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2yrr h LEU 249 Cb 0.26 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2yrr h LEU 249 CO 0.01 0.45 0.22 -0.33 0.09 0.00 0.00 178.44 178.88 2yrr h GLU 250 N 0.09 0.98 0.17 1.13 5.08 -0.75 -3.04 114.58 118.24 2yrr h GLU 250 Ca 0.01 -0.20 -0.30 0.00 -1.00 0.00 0.00 59.36 57.87 2yrr h GLU 250 Cb 0.65 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.78 2yrr h GLU 250 CO 0.05 0.85 -1.33 1.49 -1.00 0.00 0.00 179.01 179.07 2yrr h GLU 251 N 0.91 0.46 0.00 2.33 4.81 -1.23 -3.51 114.58 118.35 2yrr h GLU 251 Ca 0.21 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2yrr h GLU 251 Cb 0.26 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2yrr h GLU 251 CO -0.01 1.34 0.00 0.41 -0.73 0.00 0.00 179.01 180.01 2yrr n GLY 252 N 1.55 -0.05 0.33 1.92 0.00 0.19 -4.44 105.19 104.68 2yrr n GLY 252 Ca -0.13 -1.30 0.01 0.00 0.00 0.00 0.00 46.02 44.60 2yrr n GLY 252 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2yrr h VAL 253 N 0.00 1.17 -0.09 1.61 2.07 -1.89 -0.99 116.25 118.14 2yrr h VAL 253 Ca 0.00 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.16 2yrr h VAL 253 Cb 0.00 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 2yrr h VAL 253 CO 0.00 0.18 -0.06 0.00 0.02 0.00 0.00 177.57 177.71 2yrr h ALA 254 N 1.56 0.01 -0.45 1.67 0.00 -1.88 0.68 119.26 120.86 2yrr h ALA 254 Ca 0.22 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2yrr h ALA 254 Cb -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2yrr h ALA 254 CO -0.04 -0.53 -0.07 0.00 0.00 0.00 0.00 179.25 178.61 2yrr h ALA 255 N 1.00 1.02 -0.57 0.00 0.00 -1.67 -2.60 119.26 116.45 2yrr h ALA 255 Ca 0.06 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2yrr h ALA 255 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2yrr h ALA 255 CO -0.13 0.59 0.06 0.00 0.00 0.00 0.00 179.25 179.78 2yrr h ARG 256 N 0.72 0.93 -0.53 0.00 3.08 -0.63 -0.74 114.38 117.21 2yrr h ARG 256 Ca 0.13 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2yrr h ARG 256 Cb 0.55 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2yrr h ARG 256 CO 0.03 0.89 0.21 1.49 -1.07 0.00 0.00 179.97 181.52 2yrr h GLU 257 N 0.88 0.80 -0.85 0.04 4.81 0.21 -1.48 114.58 118.98 2yrr h GLU 257 Ca 0.17 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2yrr h GLU 257 Cb 0.43 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 2yrr h GLU 257 CO 0.01 0.70 0.45 0.00 -0.73 0.00 0.00 179.01 179.44 2yrr h ARG 258 N 0.72 1.20 -0.72 1.92 3.08 -1.07 0.75 114.38 120.27 2yrr h ARG 258 Ca 0.18 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2yrr h ARG 258 Cb 0.20 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2yrr h ARG 258 CO -0.01 0.90 0.21 -0.09 -1.07 0.00 0.00 179.97 179.91 2yrr h ARG 259 N 1.20 1.12 0.04 0.04 2.43 -0.80 0.75 114.38 119.16 2yrr h ARG 259 Ca 0.30 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2yrr h ARG 259 Cb 0.06 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2yrr h ARG 259 CO -0.04 0.96 -0.02 0.00 -1.51 0.00 0.00 179.97 179.36 2yrr h ALA 260 N 1.15 -0.05 -0.85 2.80 0.00 -0.75 -2.39 119.26 119.17 2yrr h ALA 260 Ca 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yrr h ALA 260 Cb 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2yrr h ALA 260 CO -0.01 -0.28 0.53 0.00 0.00 0.00 0.00 179.25 179.49 2yrr h ARG 261 N -0.55 1.15 -0.21 0.00 3.08 -0.78 0.86 114.38 117.92 2yrr h ARG 261 Ca -0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2yrr h ARG 261 Cb 0.50 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2yrr h ARG 261 CO 0.01 0.79 0.11 1.49 -1.07 0.00 0.00 179.97 181.30 2yrr h GLU 262 N 1.17 0.30 -0.47 0.04 4.81 -0.86 -2.04 114.58 117.54 2yrr h GLU 262 Ca 0.31 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 2yrr h GLU 262 Cb -0.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2yrr h GLU 262 CO -0.06 0.29 -0.22 0.28 -0.73 0.00 0.00 179.01 178.58 2yrr h VAL 263 N 0.23 1.27 -0.41 0.32 2.07 -1.03 -2.80 116.25 115.91 2yrr h VAL 263 Ca 0.08 -1.37 0.07 0.00 0.82 0.00 0.00 66.70 66.30 2yrr h VAL 263 Cb 0.08 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2yrr h VAL 263 CO -0.01 0.47 0.01 0.22 0.02 0.00 0.00 177.57 178.28 2yrr h TYR 264 N 0.82 0.00 -0.01 1.57 3.20 -0.65 -0.47 116.97 121.43 2yrr h TYR 264 Ca 0.11 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2yrr h TYR 264 Cb 0.78 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 2yrr h TYR 264 CO 0.05 -0.07 0.01 0.00 -1.64 0.00 0.00 178.16 176.51 2yrr h ALA 265 N 1.35 0.02 0.38 1.82 0.00 -1.30 -1.30 119.26 120.23 2yrr h ALA 265 Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2yrr h ALA 265 Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2yrr h ALA 265 CO -0.32 -0.41 -0.21 2.35 0.00 0.00 0.00 179.25 180.65 2yrr h TRP 266 N -0.11 -0.55 -0.80 0.00 7.01 -1.22 -2.22 115.95 118.04 2yrr h TRP 266 Ca 0.00 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.01 2yrr h TRP 266 Cb 0.14 0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.35 2yrr h TRP 266 CO -0.03 -0.33 0.53 0.28 -2.79 0.00 0.00 178.44 176.09 2yrr h VAL 267 N -0.56 1.18 -0.74 2.65 2.07 -1.12 -1.57 116.25 118.17 2yrr h VAL 267 Ca -0.04 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.14 2yrr h VAL 267 Cb 0.45 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2yrr h VAL 267 CO 0.06 0.19 0.47 0.25 0.02 0.00 0.00 177.57 178.56 2yrr h LEU 268 N 1.06 0.77 -0.55 2.57 5.85 -1.09 0.81 115.31 124.73 2yrr h LEU 268 Ca 0.30 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 2yrr h LEU 268 Cb -0.09 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 2yrr h LEU 268 CO -0.08 0.53 0.09 -0.33 -0.34 0.00 0.00 178.44 178.32 2yrr h GLU 269 N 0.91 0.91 -0.91 1.25 4.39 -0.93 0.18 114.58 120.38 2yrr h GLU 269 Ca 0.30 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2yrr h GLU 269 Cb 0.01 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 2yrr h GLU 269 CO -0.11 0.88 0.55 0.93 -1.16 0.00 0.00 179.01 180.10 2yrr h GLU 270 N 0.80 1.23 -0.17 2.33 4.39 -0.60 -0.28 114.58 122.28 2yrr h GLU 270 Ca 0.17 -0.11 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 2yrr h GLU 270 Cb 0.41 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2yrr h GLU 270 CO 0.01 0.86 -0.45 -0.07 -1.16 0.00 0.00 179.01 178.20 2yrr h LEU 271 N 1.25 0.69 -1.39 1.33 3.38 -0.49 -2.96 115.31 117.13 2yrr h LEU 271 Ca 0.33 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2yrr h LEU 271 Cb -0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2yrr h LEU 271 CO -0.06 1.15 0.02 0.11 0.09 0.00 0.00 178.44 179.74 2yrr h LYS 272 N 0.27 0.42 0.00 1.13 1.57 -0.42 0.49 116.57 120.03 2yrr h LYS 272 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2yrr h LYS 272 Cb 1.07 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2yrr h LYS 272 CO 0.10 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.41 2yrr h ALA 273 N 1.62 1.00 -0.55 3.86 0.00 -0.94 -2.05 119.26 122.20 2yrr h ALA 273 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2yrr h ALA 273 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2yrr h ALA 273 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 2yrr n ARG 274 N -2.82 3.08 -0.20 0.00 1.74 -0.04 -4.95 116.66 113.48 2yrr n ARG 274 Ca 0.00 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.53 2yrr n ARG 274 Cb 0.22 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2yrr n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yrr n GLY 275 N 0.95 0.62 3.81 -0.13 0.00 -0.77 -4.72 105.19 104.95 2yrr n GLY 275 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2yrr n GLY 275 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yrr s PHE 276 N -2.43 3.10 -0.04 1.61 0.08 -0.04 -3.84 117.98 116.41 2yrr s PHE 276 Ca 0.00 1.55 0.03 0.00 0.12 0.00 0.00 56.93 58.63 2yrr s PHE 276 Cb 0.00 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.47 2yrr s PHE 276 CO 0.00 -0.75 -0.12 -0.98 -0.10 0.00 0.00 175.22 173.27 2yrr s ARG 277 N -3.58 1.41 0.63 0.44 1.04 -0.88 -3.91 118.95 114.09 2yrr s ARG 277 Ca 0.64 -0.42 -0.18 0.00 -1.04 0.00 0.00 55.73 54.74 2yrr s ARG 277 Cb -0.14 -1.23 -0.02 0.00 -2.04 0.00 0.00 34.95 31.51 2yrr s ARG 277 CO 0.25 0.12 1.23 -1.25 -0.04 0.00 0.00 175.30 175.61 2yrr s PRO 278 N 0.30 2.75 -0.20 3.89 0.04 -1.26 0.49 135.00 141.01 2yrr s PRO 278 Ca -0.07 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 62.62 2yrr s PRO 278 Cb -0.12 -1.90 -0.19 0.00 0.04 0.00 0.00 34.50 32.33 2yrr s PRO 278 CO 0.02 -1.39 0.27 -0.92 0.04 0.00 0.00 177.00 175.02 2yrr h TYR 279 N 0.62 0.00 -2.95 0.56 3.20 -1.32 -3.43 116.97 113.65 2yrr h TYR 279 Ca -0.50 0.00 -0.56 0.00 3.14 0.00 0.00 58.73 60.81 2yrr h TYR 279 Cb 1.31 0.00 0.08 0.00 1.54 0.00 0.00 36.73 39.66 2yrr h TYR 279 CO 0.45 1.38 0.73 -0.35 -1.64 0.00 0.00 178.16 178.74 2yrr n PRO 280 N -4.46 2.33 0.11 1.82 -0.04 -1.26 -4.87 135.00 128.64 2yrr n PRO 280 Ca -0.29 0.83 0.03 0.00 -0.04 0.00 0.00 63.50 64.04 2yrr n PRO 280 Cb 0.64 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 2yrr n PRO 280 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2yrr h LYS 281 N 4.45 0.00 -2.52 0.54 1.57 -0.83 -3.48 116.57 116.31 2yrr h LYS 281 Ca -0.46 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.39 2yrr h LYS 281 Cb 1.25 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.43 2yrr h LYS 281 CO 0.77 0.38 0.40 0.00 -0.57 0.00 0.00 179.45 180.43 2yrr s ALA 282 N -2.99 -1.74 -1.15 3.86 0.00 -1.24 -5.03 121.76 113.47 2yrr s ALA 282 Ca 0.02 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 2yrr s ALA 282 Cb 0.08 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 2yrr s ALA 282 CO 0.76 -0.73 0.78 0.45 0.00 0.00 0.00 175.76 177.02 2yrr n SER 283 N -0.30 -4.88 -4.75 0.00 2.88 -1.26 -4.46 113.62 100.85 2yrr n SER 283 Ca -0.11 -0.96 -0.41 0.00 -1.33 0.00 0.00 58.87 56.06 2yrr n SER 283 Cb 0.63 -3.69 -0.02 0.00 -0.75 0.00 0.00 64.21 60.38 2yrr n SER 283 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2yrr s PRO 284 N -5.78 4.30 -0.34 -1.46 0.04 -1.26 -0.01 135.00 130.48 2yrr s PRO 284 Ca 0.41 2.26 -0.28 0.00 0.04 0.00 0.00 61.00 63.42 2yrr s PRO 284 Cb -0.13 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.32 2yrr s PRO 284 CO 0.84 -0.33 1.05 -1.17 0.04 0.00 0.00 177.00 177.43 2yrr s LEU 285 N -0.83 3.91 0.52 -3.56 2.96 0.16 -4.52 118.68 117.33 2yrr s LEU 285 Ca 0.56 0.91 0.35 0.00 -0.22 0.00 0.00 54.13 55.72 2yrr s LEU 285 Cb -0.41 -3.49 1.76 0.00 0.50 0.00 0.00 46.19 44.56 2yrr s LEU 285 CO 0.46 -0.91 2.06 1.55 -1.32 0.00 0.00 176.35 178.20 2yrr h PRO 286 N 8.27 0.00 -0.01 0.98 0.13 -1.93 -2.76 132.00 136.68 2yrr h PRO 286 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2yrr h PRO 286 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2yrr h PRO 286 CO 1.03 0.00 -0.26 0.25 -0.23 0.00 0.00 178.00 178.79 2yrr n THR 287 N -2.81 0.00 -3.51 1.56 -2.24 -1.26 -4.56 114.28 101.45 2yrr n THR 287 Ca -0.01 -0.10 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 2yrr n THR 287 Cb 0.14 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.55 2yrr n THR 287 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2yrr s VAL 288 N -2.55 -0.37 -0.34 2.28 1.01 -1.04 -0.74 120.40 118.64 2yrr s VAL 288 Ca 0.23 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 2yrr s VAL 288 Cb 0.19 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2yrr s VAL 288 CO 0.53 -0.13 0.53 -0.22 0.00 0.00 0.00 175.10 175.82 2yrr s LEU 289 N 2.37 4.30 -0.22 3.92 2.96 -0.43 -4.56 118.68 127.01 2yrr s LEU 289 Ca 0.06 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 2yrr s LEU 289 Cb -0.15 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 2yrr s LEU 289 CO -0.12 -0.48 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.70 2yrr s VAL 290 N 2.44 3.29 0.06 1.68 1.01 -1.26 -0.49 120.40 127.13 2yrr s VAL 290 Ca 0.20 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2yrr s VAL 290 Cb -0.15 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2yrr s VAL 290 CO 0.13 0.42 -0.12 0.68 0.00 0.00 0.00 175.10 176.21 2yrr s VAL 291 N 1.46 0.92 0.10 2.92 -7.23 -0.87 -0.83 120.40 116.88 2yrr s VAL 291 Ca 0.06 -1.23 -0.15 0.00 -1.81 0.00 0.00 61.98 58.85 2yrr s VAL 291 Cb -0.14 -0.92 -0.07 0.00 0.56 0.00 0.00 36.38 35.81 2yrr s VAL 291 CO -0.04 -0.28 0.51 -0.13 -0.31 0.00 0.00 175.10 174.85 2yrr s ARG 292 N -1.69 3.98 0.81 4.82 0.52 0.18 -1.64 118.95 125.93 2yrr s ARG 292 Ca -0.05 0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 55.53 2yrr s ARG 292 Cb -0.10 -3.04 0.08 0.00 0.52 0.00 0.00 34.95 32.41 2yrr s ARG 292 CO 0.02 0.55 1.09 -1.25 0.02 0.00 0.00 175.30 175.73 2yrr s PRO 293 N -1.68 1.94 0.91 3.54 0.04 -1.26 -2.07 135.00 136.41 2yrr s PRO 293 Ca 0.33 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 2yrr s PRO 293 Cb -0.16 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.59 2yrr s PRO 293 CO 0.18 -1.82 0.83 -2.30 0.04 0.00 0.00 177.00 173.94 2yrr n PRO 294 N -3.62 -0.27 -1.67 0.56 -0.02 -1.25 -4.73 135.00 124.00 2yrr n PRO 294 Ca 0.08 -0.02 -0.45 0.00 -2.02 0.00 0.00 63.50 61.09 2yrr n PRO 294 Cb 0.54 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 2yrr n PRO 294 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2yrr n GLU 295 N -2.94 1.99 0.00 -0.52 1.02 -1.26 -1.52 120.64 117.41 2yrr n GLU 295 Ca 0.10 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 2yrr n GLU 295 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 2yrr n GLU 295 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2yrr n GLY 296 N 2.18 2.54 3.65 0.62 0.00 -1.26 -5.00 105.19 107.92 2yrr n GLY 296 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2yrr n GLY 296 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yrr s VAL 297 N -2.72 5.23 -0.06 1.61 1.01 -0.57 -5.06 120.40 119.84 2yrr s VAL 297 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 2yrr s VAL 297 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2yrr s VAL 297 CO 0.00 0.25 0.98 -0.62 0.00 0.00 0.00 175.10 175.72 2yrr s ASP 298 N 1.17 7.28 0.12 3.32 2.15 -1.26 -4.64 116.67 124.81 2yrr s ASP 298 Ca 0.15 1.57 -0.26 0.00 0.43 0.00 0.00 52.55 54.44 2yrr s ASP 298 Cb -0.15 -2.56 -0.07 0.00 -0.30 0.00 0.00 42.92 39.85 2yrr s ASP 298 CO 0.08 -0.36 1.65 0.00 -0.17 0.00 0.00 175.17 176.37 2yrr h ALA 299 N 6.97 -0.34 -0.58 3.66 0.00 -1.90 -0.68 119.26 126.40 2yrr h ALA 299 Ca -0.36 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2yrr h ALA 299 Cb 1.18 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2yrr h ALA 299 CO 0.81 -0.74 0.07 -0.44 0.00 0.00 0.00 179.25 178.95 2yrr h ASP 300 N -0.39 0.90 -0.55 0.00 3.32 -1.84 -1.11 116.42 116.74 2yrr h ASP 300 Ca 0.05 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 2yrr h ASP 300 Cb 0.44 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2yrr h ASP 300 CO -0.17 0.91 0.16 0.03 -1.72 0.00 0.00 179.24 178.46 2yrr h ARG 301 N 0.88 0.91 -0.43 3.56 3.08 -1.92 -1.98 114.38 118.49 2yrr h ARG 301 Ca 0.18 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 2yrr h ARG 301 Cb 0.42 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2yrr h ARG 301 CO 0.01 0.80 -0.14 1.25 -1.07 0.00 0.00 179.97 180.83 2yrr h LEU 302 N 0.88 0.78 -0.80 3.04 5.85 -0.61 -0.94 115.31 123.52 2yrr h LEU 302 Ca 0.19 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2yrr h LEU 302 Cb 0.29 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2yrr h LEU 302 CO -0.00 0.93 0.48 0.58 -0.34 0.00 0.00 178.44 180.08 2yrr h VAL 303 N 0.70 1.22 -0.48 1.05 2.07 -0.70 -0.18 116.25 119.95 2yrr h VAL 303 Ca 0.11 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 2yrr h VAL 303 Cb 0.62 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2yrr h VAL 303 CO 0.04 0.23 -0.17 0.03 0.02 0.00 0.00 177.57 177.72 2yrr h ARG 304 N 1.09 0.96 -0.74 1.57 3.08 -0.91 -2.21 114.38 117.22 2yrr h ARG 304 Ca 0.29 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 2yrr h ARG 304 Cb -0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 2yrr h ARG 304 CO -0.05 1.06 0.25 0.00 -1.07 0.00 0.00 179.97 180.15 2yrr h ALA 305 N 0.87 0.97 -0.55 0.04 0.00 -0.81 -1.78 119.26 117.99 2yrr h ALA 305 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2yrr h ALA 305 Cb 0.74 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2yrr h ALA 305 CO 0.06 0.64 0.31 -0.07 0.00 0.00 0.00 179.25 180.19 2yrr h LEU 306 N 1.09 0.68 -0.80 0.00 3.38 -0.88 -1.53 115.31 117.26 2yrr h LEU 306 Ca 0.24 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.17 2yrr h LEU 306 Cb 0.29 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2yrr h LEU 306 CO -0.01 0.57 0.50 0.22 0.09 0.00 0.00 178.44 179.80 2yrr h TYR 307 N 0.74 0.92 0.00 1.13 3.20 -0.86 0.44 116.97 122.54 2yrr h TYR 307 Ca 0.19 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 2yrr h TYR 307 Cb 0.03 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 37.99 2yrr h TYR 307 CO -0.02 0.50 -0.13 0.00 -1.64 0.00 0.00 178.16 176.87 2yrr h ALA 308 N 1.36 1.53 -0.21 1.82 0.00 -0.72 -0.65 119.26 122.38 2yrr h ALA 308 Ca 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2yrr h ALA 308 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2yrr h ALA 308 CO -0.14 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.67 2yrr n GLU 309 N -4.01 1.72 -0.42 0.00 -0.58 0.00 -4.92 120.64 112.43 2yrr n GLU 309 Ca -0.02 -1.09 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 2yrr n GLU 309 Cb 0.22 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 2yrr n GLU 309 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2yrr n GLY 310 N 1.09 0.75 2.99 0.62 0.00 -0.25 -4.88 105.19 105.50 2yrr n GLY 310 Ca 0.15 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 2yrr n GLY 310 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yrr s VAL 311 N -2.00 0.88 -0.25 1.61 1.01 -0.38 -1.39 120.40 119.88 2yrr s VAL 311 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 2yrr s VAL 311 Cb 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2yrr s VAL 311 CO 0.00 0.29 0.10 0.00 0.00 0.00 0.00 175.10 175.49 2yrr s ALA 312 N 0.56 3.28 0.29 5.51 0.00 0.54 -2.13 121.76 129.81 2yrr s ALA 312 Ca -0.10 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.82 2yrr s ALA 312 Cb -0.13 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 2yrr s ALA 312 CO 0.02 -0.40 0.10 0.14 0.00 0.00 0.00 175.76 175.62 2yrr s VAL 313 N 1.46 0.61 0.16 0.00 -7.23 -1.26 0.04 120.40 114.18 2yrr s VAL 313 Ca 0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 2yrr s VAL 313 Cb -0.15 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2yrr s VAL 313 CO 0.05 0.00 0.18 0.00 -0.31 0.00 0.00 175.10 175.02 2yrr s ALA 314 N -3.63 3.70 0.25 1.32 0.00 -0.95 -4.84 121.76 117.62 2yrr s ALA 314 Ca 0.36 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2yrr s ALA 314 Cb 0.07 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2yrr s ALA 314 CO 0.15 0.52 0.09 0.41 0.00 0.00 0.00 175.76 176.93 2yrr n GLY 315 N -0.39 1.29 3.60 0.00 0.00 -1.26 -0.06 105.19 108.36 2yrr n GLY 315 Ca -0.08 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 2yrr n GLY 315 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yrr s GLY 316 N -2.47 1.55 -0.20 -0.02 0.00 -1.05 -4.41 107.32 100.72 2yrr s GLY 316 Ca 0.06 -0.59 -0.22 0.00 0.00 0.00 0.00 44.72 43.98 2yrr s GLY 316 CO 0.04 0.17 0.60 -1.50 0.00 0.00 0.00 173.10 172.41 2yrr s ILE 317 N -2.87 0.00 0.00 0.90 2.07 -1.25 -4.44 121.20 115.61 2yrr s ILE 317 Ca 0.68 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.90 2yrr s ILE 317 Cb -0.16 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.58 2yrr s ILE 317 CO 0.58 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 174.21 2yrr n GLY 318 N 2.48 3.78 0.31 1.50 0.00 -1.26 -2.07 105.19 109.93 2yrr n GLY 318 Ca -0.15 -0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.05 2yrr n GLY 318 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrr h PRO 319 N 0.00 0.00 -0.62 1.61 0.13 -1.92 -2.68 132.00 128.51 2yrr h PRO 319 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2yrr h PRO 319 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2yrr h PRO 319 CO 0.00 0.02 0.00 0.25 -0.23 0.00 0.00 178.00 178.04 2yrr n THR 320 N -3.25 1.35 -1.61 1.56 -2.24 -0.88 -4.98 114.28 104.23 2yrr n THR 320 Ca -0.02 -1.11 -0.50 0.00 -2.27 0.00 0.00 64.05 60.15 2yrr n THR 320 Cb 0.14 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 2yrr n THR 320 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2yrr n ARG 321 N 1.19 1.37 -0.88 -0.78 1.74 -1.01 -1.59 116.66 116.70 2yrr n ARG 321 Ca 0.23 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2yrr n ARG 321 Cb 0.70 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2yrr n ARG 321 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yrr n GLY 322 N 2.68 0.03 0.00 -0.13 0.00 -1.26 -4.77 105.19 101.73 2yrr n GLY 322 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 2yrr n GLY 322 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yrr n GLN 323 N 0.15 2.21 -3.74 1.61 6.02 -0.62 -4.43 117.38 118.58 2yrr n GLN 323 Ca 0.00 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.82 2yrr n GLN 323 Cb 0.36 -1.13 -0.03 0.00 1.02 0.00 0.00 30.24 30.46 2yrr n GLN 323 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2yrr n VAL 324 N -1.49 0.00 -5.28 5.09 0.24 -1.23 -4.40 118.33 111.25 2yrr n VAL 324 Ca 0.01 -1.62 -0.31 0.00 -2.04 0.00 0.00 64.34 60.38 2yrr n VAL 324 Cb 0.23 0.99 -0.16 0.00 -1.47 0.00 0.00 33.84 33.43 2yrr n VAL 324 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2yrr s LEU 325 N 0.00 2.05 -0.21 1.34 1.43 -0.65 -2.53 118.68 120.10 2yrr s LEU 325 Ca 0.26 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2yrr s LEU 325 Cb -0.01 -1.32 0.04 0.00 0.03 0.00 0.00 46.19 44.93 2yrr s LEU 325 CO 0.19 0.31 -0.15 -0.13 0.23 0.00 0.00 176.35 176.80 2yrr s ARG 326 N -0.57 2.51 -0.19 1.70 0.52 0.91 -2.05 118.95 121.79 2yrr s ARG 326 Ca 0.09 -1.02 -0.07 0.00 -0.52 0.00 0.00 55.73 54.21 2yrr s ARG 326 Cb -0.10 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 2yrr s ARG 326 CO -0.01 -0.39 0.06 -0.51 0.02 0.00 0.00 175.30 174.48 2yrr s LEU 327 N 1.25 3.77 0.01 2.53 1.43 0.36 -2.24 118.68 125.78 2yrr s LEU 327 Ca -0.01 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 2yrr s LEU 327 Cb -0.16 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2yrr s LEU 327 CO -0.09 0.16 1.19 -0.83 0.23 0.00 0.00 176.35 177.01 2yrr s GLY 328 N 0.48 2.29 -0.17 -3.19 0.00 0.10 -1.32 107.32 105.51 2yrr s GLY 328 Ca 0.03 0.73 0.17 0.00 0.00 0.00 0.00 44.72 45.65 2yrr s GLY 328 CO 0.01 2.11 1.18 1.04 0.00 0.00 0.00 173.10 177.44 2yrr n LEU 329 N 4.52 2.44 -4.37 0.66 4.77 0.08 -4.38 117.00 120.72 2yrr n LEU 329 Ca 0.10 -3.36 -0.31 0.00 -0.03 0.00 0.00 56.01 52.41 2yrr n LEU 329 Cb 0.46 -0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 41.24 2yrr n LEU 329 CO 0.55 1.21 -0.54 0.00 -1.33 0.00 0.00 177.39 177.29 2yrr s MET 330 N -2.45 2.15 5.76 3.23 0.23 -1.19 -4.31 119.30 122.72 2yrr s MET 330 Ca 0.37 -0.91 0.00 0.00 -1.03 0.00 0.00 55.69 54.12 2yrr s MET 330 Cb 0.38 -2.12 0.00 0.00 -1.53 0.00 0.00 34.83 31.55 2yrr s MET 330 CO -0.07 0.57 0.00 0.41 -2.03 0.00 0.00 175.02 173.89 2yrr n GLY 331 N 2.21 2.46 0.00 3.16 0.00 -1.22 -1.91 105.19 109.90 2yrr n GLY 331 Ca -0.16 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.44 2yrr n GLY 331 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yrr n GLU 332 N 13.55 0.18 0.12 1.61 -0.58 -1.26 -2.20 120.64 132.07 2yrr n GLU 332 Ca 0.00 0.15 -0.02 0.00 -0.42 0.00 0.00 57.16 56.87 2yrr n GLU 332 Cb 0.00 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 29.55 2yrr n GLU 332 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2yrr h GLY 333 N 1.69 0.09 -6.22 0.62 0.00 -1.66 -3.36 103.07 94.24 2yrr h GLY 333 Ca 0.00 -0.11 -0.71 0.00 0.00 0.00 0.00 47.33 46.51 2yrr h GLY 333 CO 0.00 0.10 2.91 0.00 0.00 0.00 0.00 176.54 179.55 2yrr n ALA 334 N -2.45 5.35 -2.85 3.60 0.00 -0.93 -4.68 120.51 118.55 2yrr n ALA 334 Ca -0.02 -3.93 -0.13 0.00 0.00 0.00 0.00 53.44 49.36 2yrr n ALA 334 Cb 0.58 -3.47 -0.14 0.00 0.00 0.00 0.00 19.45 16.42 2yrr n ALA 334 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2yrr s ARG 335 N 2.93 0.19 0.09 0.00 1.81 -1.26 -4.77 118.95 117.94 2yrr s ARG 335 Ca 0.47 -0.18 -0.25 0.00 -1.72 0.00 0.00 55.73 54.05 2yrr s ARG 335 Cb 0.12 -0.12 -0.15 0.00 -0.45 0.00 0.00 34.95 34.35 2yrr s ARG 335 CO -0.06 0.03 1.71 0.07 -0.68 0.00 0.00 175.30 176.37 2yrr h ARG 336 N 5.83 -0.20 -0.68 3.54 0.11 -1.96 -2.35 114.38 118.68 2yrr h ARG 336 Ca -0.27 0.01 0.08 0.00 0.10 0.00 0.00 59.98 59.90 2yrr h ARG 336 Cb 1.20 0.04 -0.06 0.00 1.11 0.00 0.00 29.97 32.26 2yrr h ARG 336 CO 0.49 -0.13 0.34 1.05 0.10 0.00 0.00 179.97 181.82 2yrr h GLU 337 N -0.21 0.59 -0.17 0.08 9.09 -1.98 -0.68 114.58 121.31 2yrr h GLU 337 Ca -0.02 -0.04 0.01 0.00 0.05 0.00 0.00 59.36 59.37 2yrr h GLU 337 Cb 0.17 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 2yrr h GLU 337 CO 0.02 0.39 0.08 0.00 0.05 0.00 0.00 179.01 179.55 2yrr h ALA 338 N 1.39 0.20 0.00 1.06 0.00 -1.87 -2.50 119.26 117.54 2yrr h ALA 338 Ca 0.32 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2yrr h ALA 338 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2yrr h ALA 338 CO -0.24 -0.35 0.00 1.88 0.00 0.00 0.00 179.25 180.54 2yrr h TYR 339 N 0.17 0.00 -0.24 0.00 -1.99 -1.01 -2.03 116.97 111.87 2yrr h TYR 339 Ca 0.07 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.65 2yrr h TYR 339 Cb 0.02 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 2yrr h TYR 339 CO -0.09 0.00 -0.45 1.96 -0.00 0.00 0.00 178.16 179.57 2yrr h GLN 340 N 0.00 0.62 -0.34 4.88 4.20 -0.79 -0.51 115.11 123.16 2yrr h GLN 340 Ca 0.00 -0.34 -0.09 0.00 0.06 0.00 0.00 58.65 58.28 2yrr h GLN 340 Cb 0.72 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 2yrr h GLN 340 CO 0.00 0.94 -0.14 0.00 -0.67 0.00 0.00 178.83 178.97 2yrr h ALA 341 N 1.00 0.48 0.03 3.87 0.00 -1.22 -2.35 119.26 121.07 2yrr h ALA 341 Ca 0.03 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2yrr h ALA 341 Cb 0.98 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2yrr h ALA 341 CO 0.09 0.37 -0.26 0.35 0.00 0.00 0.00 179.25 179.80 2yrr h PHE 342 N 0.47 -0.71 -0.91 0.00 3.57 -1.06 -0.46 116.94 117.85 2yrr h PHE 342 Ca 0.08 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.69 2yrr h PHE 342 Cb 0.66 0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.65 2yrr h PHE 342 CO 0.06 -0.36 0.59 -0.07 -2.23 0.00 0.00 178.31 176.29 2yrr h LEU 343 N -0.42 0.84 -0.29 0.59 3.38 -1.02 0.71 115.31 119.09 2yrr h LEU 343 Ca 0.05 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2yrr h LEU 343 Cb 0.49 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2yrr h LEU 343 CO -0.21 0.50 0.01 0.11 0.09 0.00 0.00 178.44 178.94 2yrr h LYS 344 N 0.93 0.51 -0.61 1.13 1.57 -0.84 -1.02 116.57 118.24 2yrr h LYS 344 Ca 0.42 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 2yrr h LYS 344 Cb 0.38 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2yrr h LYS 344 CO -0.18 0.65 0.02 0.00 -0.57 0.00 0.00 179.45 179.37 2yrr h ALA 345 N 0.84 0.88 -0.41 3.86 0.00 -0.19 -2.53 119.26 121.72 2yrr h ALA 345 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2yrr h ALA 345 Cb 0.41 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2yrr h ALA 345 CO 0.01 0.66 0.26 1.25 0.00 0.00 0.00 179.25 181.43 2yrr h LEU 346 N 0.97 0.48 -1.28 0.00 5.85 0.63 -1.46 115.31 120.50 2yrr h LEU 346 Ca 0.18 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2yrr h LEU 346 Cb 0.53 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2yrr h LEU 346 CO 0.03 0.37 0.07 0.44 -0.34 0.00 0.00 178.44 179.00 2yrr h ASP 347 N 0.54 0.51 -0.51 1.25 3.32 -1.04 0.12 116.42 120.61 2yrr h ASP 347 Ca 0.15 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 2yrr h ASP 347 Cb -0.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2yrr h ASP 347 CO -0.03 0.54 0.08 0.03 -1.72 0.00 0.00 179.24 178.14 2yrr h ARG 348 N 0.54 0.85 -0.17 3.56 3.08 -1.00 -0.39 114.38 120.85 2yrr h ARG 348 Ca 0.12 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2yrr h ARG 348 Cb 0.25 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2yrr h ARG 348 CO 0.00 0.84 0.03 0.00 -1.07 0.00 0.00 179.97 179.76 2yrr h ALA 349 N 0.98 0.22 0.00 0.04 0.00 -0.58 -2.86 119.26 117.06 2yrr h ALA 349 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2yrr h ALA 349 Cb 0.40 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2yrr h ALA 349 CO 0.01 -0.11 -0.14 -0.07 0.00 0.00 0.00 179.25 178.94 2yrr h LEU 350 N 0.06 0.00 -1.40 0.00 3.38 -0.66 -2.17 115.31 114.52 2yrr h LEU 350 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2yrr h LEU 350 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2yrr h LEU 350 CO 0.00 0.14 -0.28 0.00 0.09 0.00 0.00 178.44 178.39 2yrr h ALA 351 N 1.86 1.51 -0.00 1.53 0.00 -0.83 -3.51 119.26 119.81 2yrr h ALA 351 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2yrr h ALA 351 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2yrr h ALA 351 CO 0.02 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.92