#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9c n SER 2 N 0.00 0.00 -4.81 3.54 2.88 -1.26 -5.13 113.62 108.84 1a9c n SER 2 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1a9c n SER 2 Cb 0.00 0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.41 1a9c n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a9c s LEU 3 N -1.63 4.45 0.79 2.46 1.43 -1.26 -4.91 118.68 120.01 1a9c s LEU 3 Ca 0.00 1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 1a9c s LEU 3 Cb 0.00 -3.26 0.06 0.00 0.03 0.00 0.00 46.19 43.02 1a9c s LEU 3 CO 0.00 0.16 1.09 -0.94 0.23 0.00 0.00 176.35 176.88 1a9c s SER 4 N -1.39 4.54 0.23 2.29 1.04 -1.26 -4.80 113.70 114.34 1a9c s SER 4 Ca 0.36 1.50 -0.06 0.00 0.48 0.00 0.00 55.95 58.23 1a9c s SER 4 Cb -0.19 -2.25 0.35 0.00 0.10 0.00 0.00 66.02 64.03 1a9c s SER 4 CO 0.21 -1.97 1.79 0.11 0.98 0.00 0.00 173.24 174.37 1a9c h LYS 5 N -1.08 0.66 0.10 4.02 1.57 -1.99 -1.14 116.57 118.71 1a9c h LYS 5 Ca -0.46 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1a9c h LYS 5 Cb 1.25 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1a9c h LYS 5 CO 0.57 0.44 -0.06 0.93 -0.57 0.00 0.00 179.45 180.76 1a9c h GLU 6 N 0.68 -0.15 -0.27 3.15 3.07 -1.97 0.11 114.58 119.20 1a9c h GLU 6 Ca 0.36 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.29 1a9c h GLU 6 Cb 0.34 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.23 1a9c h GLU 6 CO -0.25 -0.10 -0.09 0.00 -1.40 0.00 0.00 179.01 177.17 1a9c h ALA 7 N 0.75 0.15 -0.25 3.43 0.00 -1.76 0.51 119.26 122.08 1a9c h ALA 7 Ca -0.01 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1a9c h ALA 7 Cb 0.13 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1a9c h ALA 7 CO 0.01 -0.49 0.08 0.00 0.00 0.00 0.00 179.25 178.86 1a9c h ALA 8 N 1.23 0.28 0.19 0.00 0.00 -0.93 -0.74 119.26 119.28 1a9c h ALA 8 Ca 0.14 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1a9c h ALA 8 Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1a9c h ALA 8 CO -0.30 -0.33 -0.24 -0.07 0.00 0.00 0.00 179.25 178.31 1a9c h LEU 9 N 0.19 -0.66 -0.18 0.00 3.38 -0.10 -1.21 115.31 116.73 1a9c h LEU 9 Ca 0.11 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1a9c h LEU 9 Cb 0.08 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1a9c h LEU 9 CO -0.12 -0.34 -0.01 0.58 0.09 0.00 0.00 178.44 178.64 1a9c h VAL 10 N -0.48 0.86 -0.28 1.22 2.07 -0.78 -0.61 116.25 118.24 1a9c h VAL 10 Ca 0.01 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1a9c h VAL 10 Cb 0.47 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1a9c h VAL 10 CO -0.09 0.01 -0.08 -0.74 0.02 0.00 0.00 177.57 176.69 1a9c h HIS 11 N 0.05 -0.18 -0.34 1.57 -0.00 -0.98 -0.50 115.15 114.77 1a9c h HIS 11 Ca 0.09 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.49 1a9c h HIS 11 Cb 0.11 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 1a9c h HIS 11 CO -0.17 -0.14 0.22 0.93 -0.00 0.00 0.00 177.93 178.77 1a9c h GLU 12 N -0.02 0.43 -0.34 5.26 5.08 -0.93 -1.42 114.58 122.65 1a9c h GLU 12 Ca 0.14 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1a9c h GLU 12 Cb 0.23 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1a9c h GLU 12 CO -0.30 0.29 -0.03 0.00 -1.00 0.00 0.00 179.01 177.97 1a9c h ALA 13 N 1.13 0.28 -0.13 3.43 0.00 -0.48 0.25 119.26 123.74 1a9c h ALA 13 Ca 0.13 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a9c h ALA 13 Cb -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1a9c h ALA 13 CO -0.04 -0.42 0.08 -0.07 0.00 0.00 0.00 179.25 178.80 1a9c h LEU 14 N 0.06 0.15 -0.65 0.00 3.38 -0.92 -1.78 115.31 115.56 1a9c h LEU 14 Ca 0.16 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1a9c h LEU 14 Cb 0.23 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1a9c h LEU 14 CO -0.30 0.16 0.35 0.58 0.09 0.00 0.00 178.44 179.33 1a9c h VAL 15 N 0.13 0.96 -0.41 1.22 2.07 -0.54 0.11 116.25 119.78 1a9c h VAL 15 Ca 0.05 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1a9c h VAL 15 Cb 0.04 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 1a9c h VAL 15 CO -0.01 0.12 0.18 0.00 0.02 0.00 0.00 177.57 177.89 1a9c h ALA 16 N 1.34 0.50 0.00 1.67 0.00 -0.25 -1.07 119.26 121.45 1a9c h ALA 16 Ca 0.29 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1a9c h ALA 16 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a9c h ALA 16 CO -0.18 -0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.42 1a9c n ARG 17 N -4.95 0.25 -1.50 0.00 3.00 -0.69 -4.90 116.66 107.86 1a9c n ARG 17 Ca 0.02 0.01 -0.05 0.00 -0.01 0.00 0.00 57.85 57.82 1a9c n ARG 17 Cb 0.12 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.06 1a9c n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a9c n GLY 18 N 1.29 0.55 1.30 -0.13 0.00 0.14 -4.93 105.19 103.41 1a9c n GLY 18 Ca 0.11 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.46 1a9c n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a9c n LEU 19 N -0.64 3.97 -4.83 0.99 4.77 0.07 -4.98 117.00 116.35 1a9c n LEU 19 Ca -0.06 -2.09 -0.32 0.00 -0.03 0.00 0.00 56.01 53.52 1a9c n LEU 19 Cb 0.31 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1a9c n LEU 19 CO 0.08 0.93 0.70 -1.61 -1.33 0.00 0.00 177.39 176.15 1a9c s GLU 20 N -1.17 3.59 0.21 3.23 0.41 -1.23 -4.77 118.70 118.98 1a9c s GLU 20 Ca 0.46 1.01 -0.30 0.00 -0.41 0.00 0.00 54.97 55.73 1a9c s GLU 20 Cb 0.25 -2.08 -0.09 0.00 -1.78 0.00 0.00 34.13 30.43 1a9c s GLU 20 CO 0.29 -0.57 1.29 0.99 -0.49 0.00 0.00 175.26 176.77 1a9c s THR 21 N -2.68 3.19 -0.58 3.63 2.01 -1.26 -4.87 115.64 115.08 1a9c s THR 21 Ca 0.60 1.01 -0.29 0.00 0.31 0.00 0.00 61.69 63.32 1a9c s THR 21 Cb -0.12 -3.65 -0.11 0.00 0.01 0.00 0.00 72.50 68.63 1a9c s THR 21 CO 0.38 0.16 2.45 -2.65 -0.69 0.00 0.00 174.62 174.28 1a9c n PRO 22 N 2.38 0.84 -4.51 4.92 -0.02 -1.26 -4.92 135.00 132.42 1a9c n PRO 22 Ca 0.05 0.07 -0.21 0.00 -2.02 0.00 0.00 63.50 61.38 1a9c n PRO 22 Cb 0.43 -2.82 -0.14 0.00 -0.02 0.00 0.00 33.50 30.95 1a9c n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1a9c s LEU 23 N 10.55 2.10 -0.10 2.45 1.43 -1.26 -5.13 118.68 128.72 1a9c s LEU 23 Ca 1.09 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.80 1a9c s LEU 23 Cb -0.55 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1a9c s LEU 23 CO 0.35 0.11 0.07 -0.13 0.23 0.00 0.00 176.35 176.99 1a9c s ARG 24 N -0.73 3.20 0.58 1.70 0.52 -1.26 -5.08 118.95 117.89 1a9c s ARG 24 Ca 0.04 -0.28 -0.20 0.00 -0.52 0.00 0.00 55.73 54.77 1a9c s ARG 24 Cb -0.07 -2.98 -0.05 0.00 0.52 0.00 0.00 34.95 32.38 1a9c s ARG 24 CO 0.00 0.74 1.10 -0.35 0.02 0.00 0.00 175.30 176.81 1a9c n PRO 25 N 2.01 1.14 -1.53 3.54 -0.04 -1.26 -4.71 135.00 134.16 1a9c n PRO 25 Ca -0.19 0.43 -0.28 0.00 -0.04 0.00 0.00 63.50 63.43 1a9c n PRO 25 Cb 0.54 -2.30 -0.13 0.00 -0.04 0.00 0.00 33.50 31.58 1a9c n PRO 25 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1a9c n PRO 26 N -1.03 0.36 -0.23 0.54 -0.04 -1.26 -4.77 135.00 128.58 1a9c n PRO 26 Ca 0.13 -0.21 0.15 0.00 -0.04 0.00 0.00 63.50 63.53 1a9c n PRO 26 Cb 0.46 -2.33 0.28 0.00 -0.04 0.00 0.00 33.50 31.87 1a9c n PRO 26 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a9c n VAL 27 N 7.37 -0.29 -3.69 0.52 0.31 -1.26 -4.50 118.33 116.79 1a9c n VAL 27 Ca 0.56 1.46 -0.13 0.00 -0.01 0.00 0.00 64.34 66.22 1a9c n VAL 27 Cb 0.27 -2.23 -0.07 0.00 -0.91 0.00 0.00 33.84 30.91 1a9c n VAL 27 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1a9c s HIS 28 N -5.37 -0.26 -1.10 3.52 3.76 -1.26 -5.07 115.29 109.51 1a9c s HIS 28 Ca -0.08 0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.87 1a9c s HIS 28 Cb 0.21 0.19 -0.11 0.00 1.11 0.00 0.00 32.58 33.99 1a9c s HIS 28 CO 0.53 -0.52 1.99 -1.21 -0.85 0.00 0.00 174.74 174.68 1a9c s GLU 29 N -2.10 2.25 -0.09 1.40 2.02 -1.26 -4.91 118.70 116.01 1a9c s GLU 29 Ca -0.08 -0.81 -0.05 0.00 0.02 0.00 0.00 54.97 54.05 1a9c s GLU 29 Cb -0.02 -5.15 -0.04 0.00 0.10 0.00 0.00 34.13 29.03 1a9c s GLU 29 CO 0.00 -4.15 0.11 -1.64 0.02 0.00 0.00 175.26 169.60 1a9c s MET 30 N 7.00 3.31 0.48 1.61 -1.94 -1.26 -5.09 119.30 123.42 1a9c s MET 30 Ca 0.72 -0.24 -0.20 0.00 -1.71 0.00 0.00 55.69 54.26 1a9c s MET 30 Cb -0.03 -3.07 -0.09 0.00 2.01 0.00 0.00 34.83 33.66 1a9c s MET 30 CO 0.11 0.74 1.02 -0.51 -0.01 0.00 0.00 175.02 176.37 1a9c s ASP 31 N -1.17 6.43 0.52 3.03 1.11 -1.26 -4.88 116.67 120.44 1a9c s ASP 31 Ca 0.17 1.86 0.16 0.00 0.18 0.00 0.00 52.55 54.93 1a9c s ASP 31 Cb -0.12 -2.55 1.27 0.00 1.07 0.00 0.00 42.92 42.58 1a9c s ASP 31 CO 0.06 -0.72 2.14 0.78 1.18 0.00 0.00 175.17 178.61 1a9c h ASN 32 N 1.53 0.02 -0.29 0.27 4.21 -1.98 -0.40 115.58 118.94 1a9c h ASN 32 Ca -0.49 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.02 1a9c h ASN 32 Cb 1.21 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.39 1a9c h ASN 32 CO 0.59 0.01 0.19 -0.33 -1.29 0.00 0.00 177.43 176.61 1a9c h GLU 33 N 0.02 0.38 -0.20 0.81 5.08 -1.99 0.27 114.58 118.95 1a9c h GLU 33 Ca 0.02 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1a9c h GLU 33 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1a9c h GLU 33 CO -0.00 0.25 -0.52 1.79 -1.00 0.00 0.00 179.01 179.53 1a9c h THR 34 N 0.39 1.32 -0.35 1.13 1.35 -1.55 -1.81 112.91 113.39 1a9c h THR 34 Ca 0.11 -1.75 -0.01 0.00 -0.55 0.00 0.00 66.41 64.20 1a9c h THR 34 Cb -0.04 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 1a9c h THR 34 CO -0.02 0.55 0.17 0.03 -0.25 0.00 0.00 175.52 176.00 1a9c h ARG 35 N 0.43 0.49 -0.05 4.72 3.08 -0.60 -1.41 114.38 121.05 1a9c h ARG 35 Ca 0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1a9c h ARG 35 Cb 1.05 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1a9c h ARG 35 CO 0.10 0.44 0.03 0.87 -1.07 0.00 0.00 179.97 180.33 1a9c h LYS 36 N 0.43 0.05 -0.87 0.04 1.57 -0.37 0.02 116.57 117.44 1a9c h LYS 36 Ca 0.12 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1a9c h LYS 36 Cb 0.10 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1a9c h LYS 36 CO -0.02 0.04 0.57 0.66 -0.57 0.00 0.00 179.45 180.13 1a9c h SER 37 N 0.06 0.92 -0.37 0.86 4.64 -1.15 0.23 113.55 118.74 1a9c h SER 37 Ca 0.02 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 1a9c h SER 37 Cb -0.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1a9c h SER 37 CO -0.01 0.62 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.43 1a9c h LEU 38 N 1.06 0.70 -0.43 5.97 3.38 -0.80 -0.31 115.31 124.88 1a9c h LEU 38 Ca 0.35 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1a9c h LEU 38 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1a9c h LEU 38 CO -0.11 0.89 0.20 0.40 0.09 0.00 0.00 178.44 179.91 1a9c h ILE 39 N 0.50 1.18 -0.90 1.22 2.04 -0.34 -1.96 117.51 119.24 1a9c h ILE 39 Ca 0.09 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1a9c h ILE 39 Cb 0.58 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1a9c h ILE 39 CO 0.03 0.20 0.59 0.00 0.00 0.00 0.00 178.15 178.97 1a9c h ALA 40 N 1.05 1.17 -0.14 1.87 0.00 -0.42 -0.67 119.26 122.12 1a9c h ALA 40 Ca 0.15 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1a9c h ALA 40 Cb 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1a9c h ALA 40 CO -0.02 0.49 0.02 0.78 0.00 0.00 0.00 179.25 180.52 1a9c h GLY 41 N 1.18 0.14 1.15 0.00 0.00 -0.54 0.26 103.07 105.26 1a9c h GLY 41 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1a9c h GLY 41 CO -0.10 -0.01 0.43 0.45 0.00 0.00 0.00 176.54 177.31 1a9c h HIS 42 N 0.07 1.09 -0.49 5.60 -0.00 -0.81 -2.06 115.15 118.54 1a9c h HIS 42 Ca 0.06 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1a9c h HIS 42 Cb 0.06 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.10 1a9c h HIS 42 CO -0.13 0.76 0.19 0.52 -0.00 0.00 0.00 177.93 179.27 1a9c h MET 43 N 1.11 0.74 -0.42 2.45 2.86 -0.50 -0.66 114.93 120.50 1a9c h MET 43 Ca 0.28 -0.14 0.08 0.00 -2.06 0.00 0.00 59.70 57.86 1a9c h MET 43 Cb 0.04 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.51 1a9c h MET 43 CO -0.04 0.66 -0.03 1.15 1.06 0.00 0.00 176.91 179.70 1a9c h THR 44 N 0.65 0.65 0.17 2.22 2.02 -0.40 0.21 112.91 118.43 1a9c h THR 44 Ca 0.16 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.33 1a9c h THR 44 Cb 0.20 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1a9c h THR 44 CO -0.01 0.01 -0.24 -0.33 0.37 0.00 0.00 175.52 175.32 1a9c h GLU 45 N 0.07 -0.46 -0.48 6.66 4.39 -0.94 -0.12 114.58 123.70 1a9c h GLU 45 Ca 0.21 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.01 1a9c h GLU 45 Cb 0.31 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.00 1a9c h GLU 45 CO -0.38 -0.31 0.12 0.82 -1.16 0.00 0.00 179.01 178.11 1a9c h ILE 46 N -0.48 0.77 -0.55 3.13 2.04 -0.28 0.10 117.51 122.25 1a9c h ILE 46 Ca 0.01 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1a9c h ILE 46 Cb 0.48 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1a9c h ILE 46 CO -0.10 0.05 0.23 0.24 0.00 0.00 0.00 178.15 178.57 1a9c h MET 47 N 0.27 0.78 -0.49 2.37 2.86 -0.28 -1.58 114.93 118.86 1a9c h MET 47 Ca 0.24 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.65 1a9c h MET 47 Cb 0.29 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1a9c h MET 47 CO -0.28 0.63 -0.17 1.96 1.06 0.00 0.00 176.91 180.11 1a9c h GLN 48 N 0.77 0.97 0.00 1.72 4.20 0.32 -1.88 115.11 121.22 1a9c h GLN 48 Ca 0.19 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1a9c h GLN 48 Cb 0.13 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1a9c h GLN 48 CO -0.02 1.06 -0.10 -0.07 -0.67 0.00 0.00 178.83 179.02 1a9c h LEU 49 N 0.85 0.00 -0.72 1.46 3.38 0.03 -0.55 115.31 119.76 1a9c h LEU 49 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1a9c h LEU 49 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1a9c h LEU 49 CO 0.06 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.87 1a9c n LEU 50 N -3.62 1.11 -0.80 1.67 4.77 -0.68 -4.92 117.00 114.53 1a9c n LEU 50 Ca -0.02 -0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 55.50 1a9c n LEU 50 Cb 0.23 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1a9c n LEU 50 CO 0.29 0.19 -0.09 0.59 -1.33 0.00 0.00 177.39 177.04 1a9c n ASN 51 N -0.13 -3.58 -4.74 -1.43 3.02 -0.22 -5.01 115.26 103.18 1a9c n ASN 51 Ca 0.20 0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.46 1a9c n ASN 51 Cb 0.29 -2.30 -0.04 0.00 -0.61 0.00 0.00 39.78 37.12 1a9c n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a9c s LEU 52 N -2.17 4.52 -1.07 3.41 1.43 -0.76 -4.95 118.68 119.09 1a9c s LEU 52 Ca 0.00 1.97 -0.22 0.00 -1.03 0.00 0.00 54.13 54.85 1a9c s LEU 52 Cb 0.00 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.67 1a9c s LEU 52 CO 0.00 -0.10 1.55 -0.62 0.23 0.00 0.00 176.35 177.41 1a9c s ASP 53 N -0.29 6.47 0.00 2.29 2.15 -1.26 -4.63 116.67 121.39 1a9c s ASP 53 Ca 0.47 -1.62 0.02 0.00 0.43 0.00 0.00 52.55 51.85 1a9c s ASP 53 Cb -0.27 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 39.87 1a9c s ASP 53 CO 0.33 -1.54 0.82 0.18 -0.17 0.00 0.00 175.17 174.80 1a9c n LEU 54 N 9.17 0.00 0.03 -1.34 4.77 -1.26 -1.17 117.00 127.20 1a9c n LEU 54 Ca 0.37 0.25 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1a9c n LEU 54 Cb 0.50 -0.25 0.44 0.00 -2.33 0.00 0.00 43.42 41.78 1a9c n LEU 54 CO 0.68 -0.23 0.75 0.00 -1.33 0.00 0.00 177.39 177.26 1a9c n ALA 55 N -1.25 2.67 -2.04 -1.18 0.00 -1.26 -3.39 120.51 114.07 1a9c n ALA 55 Ca 0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1a9c n ALA 55 Cb 0.01 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 1a9c n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a9c s ASP 56 N -3.45 6.69 0.34 0.00 2.15 -0.32 -4.85 116.67 117.23 1a9c s ASP 56 Ca 0.12 2.47 0.13 0.00 0.43 0.00 0.00 52.55 55.70 1a9c s ASP 56 Cb 0.17 -2.59 1.08 0.00 -0.30 0.00 0.00 42.92 41.28 1a9c s ASP 56 CO 0.61 -0.76 1.61 -2.24 -0.17 0.00 0.00 175.17 174.22 1a9c h ASP 57 N 7.00 0.18 0.23 -0.34 2.03 -1.90 0.80 116.42 124.42 1a9c h ASP 57 Ca -0.42 0.24 -0.01 0.00 -0.73 0.00 0.00 57.03 56.10 1a9c h ASP 57 Cb 1.20 0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.98 1a9c h ASP 57 CO 0.90 -0.31 -0.11 -1.28 -1.03 0.00 0.00 179.24 177.41 1a9c h SER 58 N 0.11 -0.26 -0.65 4.15 0.87 -1.95 -3.35 113.55 112.47 1a9c h SER 58 Ca 0.73 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 61.42 1a9c h SER 58 Cb 1.76 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.74 1a9c h SER 58 CO -0.74 0.12 0.44 -0.07 -0.53 0.00 0.00 176.83 176.05 1a9c h LEU 59 N -0.93 0.34 -1.00 2.23 3.38 -1.76 -3.16 115.31 114.41 1a9c h LEU 59 Ca -0.03 0.01 0.34 0.00 0.09 0.00 0.00 57.88 58.29 1a9c h LEU 59 Cb 0.24 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 40.77 1a9c h LEU 59 CO 0.05 0.19 0.54 -0.03 0.09 0.00 0.00 178.44 179.29 1a9c h MET 60 N 0.37 0.24 -0.34 1.13 4.05 -0.86 -1.28 114.93 118.24 1a9c h MET 60 Ca 0.31 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1a9c h MET 60 Cb 0.70 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1a9c h MET 60 CO -0.08 0.16 0.00 0.39 0.23 0.00 0.00 176.91 177.60 1a9c n GLU 61 N -5.11 2.49 -0.13 0.39 1.02 -1.19 -4.55 120.64 113.56 1a9c n GLU 61 Ca 0.33 -2.24 -0.07 0.00 -0.02 0.00 0.00 57.16 55.16 1a9c n GLU 61 Cb 1.04 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.96 1a9c n GLU 61 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1a9c h THR 62 N 4.51 1.02 -0.85 2.62 2.02 -1.39 -1.01 112.91 119.84 1a9c h THR 62 Ca 0.00 -0.16 0.09 0.00 0.77 0.00 0.00 66.41 67.10 1a9c h THR 62 Cb 0.99 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 1a9c h THR 62 CO 0.00 0.09 0.55 -0.65 0.37 0.00 0.00 175.52 175.88 1a9c h PRO 63 N 0.47 0.82 -0.01 6.66 0.11 -1.80 0.17 132.00 138.42 1a9c h PRO 63 Ca 0.17 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1a9c h PRO 63 Cb 0.03 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 1a9c h PRO 63 CO -0.09 0.55 -0.00 0.45 -0.21 0.00 0.00 178.00 178.70 1a9c h HIS 64 N 0.85 0.02 -1.01 0.65 3.86 -1.71 -1.51 115.15 116.30 1a9c h HIS 64 Ca 0.38 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.62 1a9c h HIS 64 Cb 0.36 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.77 1a9c h HIS 64 CO -0.00 0.33 0.66 0.00 0.86 0.00 0.00 177.93 179.78 1a9c h ARG 65 N -0.29 1.27 -0.17 2.45 3.08 -0.30 -1.25 114.38 119.16 1a9c h ARG 65 Ca 0.00 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1a9c h ARG 65 Cb 0.32 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1a9c h ARG 65 CO 0.00 0.84 -0.10 0.82 -1.07 0.00 0.00 179.97 180.46 1a9c h ILE 66 N 1.31 1.32 -0.07 2.04 2.04 -0.66 -1.31 117.51 122.17 1a9c h ILE 66 Ca 0.39 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1a9c h ILE 66 Cb -0.05 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1a9c h ILE 66 CO -0.11 0.35 -0.11 0.00 0.00 0.00 0.00 178.15 178.27 1a9c h ALA 67 N 0.67 -0.07 -0.47 1.87 0.00 -0.93 0.17 119.26 120.50 1a9c h ALA 67 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1a9c h ALA 67 Cb 0.59 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1a9c h ALA 67 CO 0.03 -0.58 0.27 -0.22 0.00 0.00 0.00 179.25 178.74 1a9c h LYS 68 N -0.16 0.51 -0.05 0.00 3.64 -1.26 -1.75 116.57 117.51 1a9c h LYS 68 Ca 0.07 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1a9c h LYS 68 Cb 0.25 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1a9c h LYS 68 CO -0.17 0.34 -0.09 1.98 -2.27 0.00 0.00 179.45 179.24 1a9c h MET 69 N 0.53 -0.13 0.56 1.90 4.05 -0.75 0.29 114.93 121.38 1a9c h MET 69 Ca 0.20 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 1a9c h MET 69 Cb 0.05 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1a9c h MET 69 CO -0.11 -0.09 -0.36 1.88 0.23 0.00 0.00 176.91 178.47 1a9c h TYR 70 N -0.14 -0.95 0.22 1.39 -1.99 -0.71 0.46 116.97 115.26 1a9c h TYR 70 Ca 0.05 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1a9c h TYR 70 Cb 0.21 0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.28 1a9c h TYR 70 CO -0.18 -0.54 -0.11 0.28 -0.00 0.00 0.00 178.16 177.61 1a9c h VAL 71 N -0.88 0.85 0.13 -2.88 2.07 -1.27 -2.01 116.25 112.26 1a9c h VAL 71 Ca -0.07 -0.65 -0.33 0.00 0.82 0.00 0.00 66.70 66.47 1a9c h VAL 71 Cb 0.72 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1a9c h VAL 71 CO 0.06 0.14 -1.67 0.44 0.02 0.00 0.00 177.57 176.56 1a9c h ASP 72 N -0.64 0.43 0.00 0.57 3.32 -0.53 -3.36 116.42 116.21 1a9c h ASP 72 Ca -0.03 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.35 1a9c h ASP 72 Cb 0.46 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1a9c h ASP 72 CO 0.05 1.57 0.00 -0.62 -1.72 0.00 0.00 179.24 178.52 1a9c n GLU 73 N -3.47 0.00 0.08 3.56 1.02 -0.04 -4.48 120.64 117.31 1a9c n GLU 73 Ca -0.21 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.14 1a9c n GLU 73 Cb 1.05 0.00 0.67 0.00 -0.02 0.00 0.00 31.44 33.15 1a9c n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1a9c h ILE 74 N 0.00 0.23 -0.13 -3.67 3.07 -1.20 -1.18 117.51 114.63 1a9c h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1a9c h ILE 74 Cb 0.00 0.51 0.00 0.00 -0.27 0.00 0.00 36.82 37.06 1a9c h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1a9c n PHE 75 N -3.45 0.30 0.29 0.16 3.72 -0.76 -2.91 117.46 114.82 1a9c n PHE 75 Ca 0.09 -0.71 0.19 0.00 -0.05 0.00 0.00 57.45 56.97 1a9c n PHE 75 Cb 0.77 -0.13 1.03 0.00 -0.94 0.00 0.00 39.48 40.21 1a9c n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a9c h SER 76 N 0.84 0.00 0.64 4.37 4.64 -1.17 -1.62 113.55 121.24 1a9c h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a9c h SER 76 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1a9c h SER 76 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1a9c n GLY 77 N -1.15 -1.22 0.19 -0.77 0.00 0.21 -2.31 105.19 100.14 1a9c n GLY 77 Ca -0.03 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1a9c n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a9c h LEU 78 N 0.00 0.00 -8.30 0.99 3.38 -1.40 -3.41 115.31 106.56 1a9c h LEU 78 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 1a9c h LEU 78 Cb 0.32 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.80 1a9c h LEU 78 CO 0.00 0.00 -0.57 -0.62 0.09 0.00 0.00 178.44 177.34 1a9c s ASP 79 N -5.03 5.47 0.00 -0.43 -1.08 -0.98 -4.96 116.67 109.66 1a9c s ASP 79 Ca 0.05 -1.01 0.05 0.00 -0.52 0.00 0.00 52.55 51.12 1a9c s ASP 79 Cb 0.09 -1.94 0.23 0.00 -1.46 0.00 0.00 42.92 39.84 1a9c s ASP 79 CO 0.51 -0.33 1.05 -1.22 0.52 0.00 0.00 175.17 175.70 1a9c n TYR 80 N 4.90 0.00 0.31 -5.34 4.02 -1.26 -0.43 117.16 119.36 1a9c n TYR 80 Ca -0.12 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.93 1a9c n TYR 80 Cb 0.46 -0.37 0.64 0.00 -0.02 0.00 0.00 39.34 40.05 1a9c n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a9c h ALA 81 N 2.20 1.00 -0.44 -0.72 0.00 -1.92 -2.04 119.26 117.36 1a9c h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a9c h ALA 81 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1a9c h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1a9c n ASN 82 N -2.87 2.80 -4.77 0.00 3.02 0.43 -4.96 115.26 108.91 1a9c n ASN 82 Ca 0.01 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.21 1a9c n ASN 82 Cb 0.29 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1a9c n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1a9c s PHE 83 N -1.43 2.94 0.77 3.10 5.36 -0.77 -4.96 117.98 122.99 1a9c s PHE 83 Ca 0.36 1.37 -0.13 0.00 -0.96 0.00 0.00 56.93 57.57 1a9c s PHE 83 Cb 0.20 -3.75 0.06 0.00 -0.34 0.00 0.00 43.02 39.19 1a9c s PHE 83 CO 0.27 -2.10 1.14 -1.25 -1.46 0.00 0.00 175.22 171.82 1a9c s PRO 84 N -1.89 2.04 -0.28 10.12 0.04 -1.26 -4.96 135.00 138.80 1a9c s PRO 84 Ca 0.50 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.73 1a9c s PRO 84 Cb -0.41 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1a9c s PRO 84 CO 0.55 -1.85 0.98 0.15 0.04 0.00 0.00 177.00 176.87 1a9c s LYS 85 N -4.41 4.12 -0.03 4.56 1.02 -1.26 -4.92 119.74 118.82 1a9c s LYS 85 Ca 0.67 1.06 -0.17 0.00 0.02 0.00 0.00 55.97 57.55 1a9c s LYS 85 Cb -0.22 -3.69 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 1a9c s LYS 85 CO 0.51 -0.73 0.47 0.42 -0.92 0.00 0.00 175.35 175.09 1a9c s ILE 86 N 3.29 5.04 -0.09 2.17 1.09 -1.26 -4.96 121.20 126.48 1a9c s ILE 86 Ca 0.41 0.96 0.02 0.00 -1.10 0.00 0.00 60.65 60.94 1a9c s ILE 86 Cb -0.14 -3.79 0.02 0.00 -1.06 0.00 0.00 42.46 37.49 1a9c s ILE 86 CO 0.11 0.47 -0.13 0.42 -0.10 0.00 0.00 174.94 175.71 1a9c s THR 87 N -0.38 1.24 -0.00 2.92 -4.23 -1.26 -5.09 115.64 108.84 1a9c s THR 87 Ca 0.26 -0.51 0.08 0.00 -1.18 0.00 0.00 61.69 60.34 1a9c s THR 87 Cb -0.17 -1.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 1a9c s THR 87 CO 0.13 0.39 -0.26 -0.76 -0.54 0.00 0.00 174.62 173.58 1a9c s LEU 88 N 0.91 2.08 -0.01 4.79 1.43 -1.26 -1.75 118.68 124.87 1a9c s LEU 88 Ca -0.09 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1a9c s LEU 88 Cb -0.15 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1a9c s LEU 88 CO 0.00 0.30 -0.06 0.27 0.23 0.00 0.00 176.35 177.09 1a9c s ILE 89 N -0.65 3.68 0.23 -0.59 -4.36 0.37 -4.94 121.20 114.95 1a9c s ILE 89 Ca 0.10 -0.71 -0.31 0.00 -0.26 0.00 0.00 60.65 59.47 1a9c s ILE 89 Cb -0.10 -2.58 -0.11 0.00 1.25 0.00 0.00 42.46 40.91 1a9c s ILE 89 CO -0.00 0.43 1.65 -0.70 0.24 0.00 0.00 174.94 176.56 1a9c s GLU 90 N -1.31 4.14 -1.02 0.37 2.12 -1.26 -0.61 118.70 121.13 1a9c s GLU 90 Ca 0.16 2.55 -0.16 0.00 0.36 0.00 0.00 54.97 57.89 1a9c s GLU 90 Cb -0.11 -3.07 -0.09 0.00 0.26 0.00 0.00 34.13 31.12 1a9c s GLU 90 CO 0.07 -0.68 2.11 -1.71 -0.54 0.00 0.00 175.26 174.50 1a9c n ASN 91 N 3.34 3.75 0.09 -1.70 5.15 -0.43 -4.53 115.26 120.93 1a9c n ASN 91 Ca 0.13 -2.64 -0.04 0.00 -0.60 0.00 0.00 54.58 51.43 1a9c n ASN 91 Cb 0.37 -1.27 -0.01 0.00 -0.53 0.00 0.00 39.78 38.34 1a9c n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1a9c h LYS 92 N 6.94 0.00 0.00 1.20 1.57 -1.88 -3.11 116.57 121.29 1a9c h LYS 92 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1a9c h LYS 92 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1a9c h LYS 92 CO 1.83 0.84 0.00 -1.33 -0.57 0.00 0.00 179.45 180.22 1a9c n MET 93 N -3.49 0.02 -3.69 3.15 2.81 -1.26 -4.85 117.12 109.80 1a9c n MET 93 Ca -0.00 0.36 -0.23 0.00 -1.81 0.00 0.00 57.70 56.02 1a9c n MET 93 Cb 0.81 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.87 1a9c n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a9c n LYS 94 N -1.46 -5.72 -2.29 0.03 5.02 -1.17 -4.91 118.16 107.65 1a9c n LYS 94 Ca 0.02 0.68 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 1a9c n LYS 94 Cb 0.07 -5.45 -0.03 0.00 -0.02 0.00 0.00 35.03 29.60 1a9c n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a9c s VAL 95 N -3.49 3.92 -0.02 -0.18 1.01 -1.26 -4.87 120.40 115.51 1a9c s VAL 95 Ca 0.23 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.48 1a9c s VAL 95 Cb -0.11 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1a9c s VAL 95 CO 0.79 -0.03 0.95 -0.90 0.00 0.00 0.00 175.10 175.91 1a9c n ASP 96 N 5.72 1.67 -4.49 3.32 5.68 -1.26 -4.48 116.55 122.72 1a9c n ASP 96 Ca 0.13 -2.02 -0.27 0.00 -0.50 0.00 0.00 54.79 52.13 1a9c n ASP 96 Cb 0.44 -0.08 -0.11 0.00 -1.14 0.00 0.00 41.12 40.24 1a9c n ASP 96 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1a9c s GLU 97 N -1.11 1.75 0.52 0.11 0.41 -1.26 -4.92 118.70 114.20 1a9c s GLU 97 Ca 0.05 -1.38 -0.21 0.00 -0.41 0.00 0.00 54.97 53.02 1a9c s GLU 97 Cb 0.05 -2.00 -0.06 0.00 -1.78 0.00 0.00 34.13 30.34 1a9c s GLU 97 CO 0.00 0.42 1.24 0.00 -0.49 0.00 0.00 175.26 176.44 1a9c s MET 98 N -2.65 3.35 -0.15 1.61 0.23 -1.26 -4.39 119.30 116.04 1a9c s MET 98 Ca 0.22 1.93 -0.03 0.00 -1.03 0.00 0.00 55.69 56.78 1a9c s MET 98 Cb -0.09 -2.23 -0.02 0.00 -1.53 0.00 0.00 34.83 30.96 1a9c s MET 98 CO 0.12 -0.93 -0.06 0.08 -2.03 0.00 0.00 175.02 172.20 1a9c s VAL 99 N -1.48 3.69 -0.11 5.16 1.01 0.34 -4.93 120.40 124.08 1a9c s VAL 99 Ca 0.70 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1a9c s VAL 99 Cb -0.33 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.46 1a9c s VAL 99 CO 0.38 0.50 -0.20 -0.89 0.00 0.00 0.00 175.10 174.89 1a9c s THR 100 N 0.38 1.84 -0.28 3.92 2.01 -1.26 -1.46 115.64 120.79 1a9c s THR 100 Ca -0.06 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 1a9c s THR 100 Cb -0.15 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.76 1a9c s THR 100 CO 0.04 0.51 0.03 -0.69 -0.69 0.00 0.00 174.62 173.82 1a9c s VAL 101 N 0.64 3.56 0.22 3.82 1.01 0.11 -4.99 120.40 124.78 1a9c s VAL 101 Ca -0.13 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.08 1a9c s VAL 101 Cb -0.16 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1a9c s VAL 101 CO 0.03 0.09 0.02 0.00 0.00 0.00 0.00 175.10 175.25 1a9c s ARG 102 N 1.43 2.42 -1.34 2.72 1.70 -1.26 -0.84 118.95 123.77 1a9c s ARG 102 Ca 0.01 -1.24 -0.06 0.00 -0.47 0.00 0.00 55.73 53.98 1a9c s ARG 102 Cb -0.17 -2.30 0.02 0.00 -0.57 0.00 0.00 34.95 31.93 1a9c s ARG 102 CO 0.00 0.41 0.99 -0.25 -1.08 0.00 0.00 175.30 175.37 1a9c n ASP 103 N -0.58 -3.74 -4.68 -2.89 8.00 -1.07 -4.94 116.55 106.64 1a9c n ASP 103 Ca -0.08 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.32 1a9c n ASP 103 Cb 0.57 -4.61 -0.03 0.00 -0.02 0.00 0.00 41.12 37.04 1a9c n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a9c s ILE 104 N -3.40 4.22 0.19 0.53 1.01 0.57 -4.82 121.20 119.50 1a9c s ILE 104 Ca 0.32 1.54 -0.32 0.00 0.00 0.00 0.00 60.65 62.19 1a9c s ILE 104 Cb -0.15 -3.99 -0.12 0.00 0.01 0.00 0.00 42.46 38.21 1a9c s ILE 104 CO 0.77 -0.02 1.74 0.41 0.00 0.00 0.00 174.94 177.84 1a9c n THR 105 N 4.70 0.06 -3.72 2.92 -1.04 -1.26 -0.88 114.28 115.06 1a9c n THR 105 Ca 0.11 -0.01 -0.23 0.00 -2.04 0.00 0.00 64.05 61.89 1a9c n THR 105 Cb 0.46 -1.99 -0.18 0.00 -1.82 0.00 0.00 70.33 66.80 1a9c n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1a9c s LEU 106 N 1.43 0.47 -0.12 -4.42 0.20 -0.12 -4.80 118.68 111.32 1a9c s LEU 106 Ca 0.76 -0.14 0.01 0.00 0.69 0.00 0.00 54.13 55.45 1a9c s LEU 106 Cb -0.51 -0.34 0.02 0.00 -0.43 0.00 0.00 46.19 44.93 1a9c s LEU 106 CO 0.33 -0.24 -0.13 0.42 -0.29 0.00 0.00 176.35 176.44 1a9c s THR 107 N 2.04 1.44 0.08 3.68 -4.23 -1.26 -0.34 115.64 117.06 1a9c s THR 107 Ca 0.04 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1a9c s THR 107 Cb -0.13 -1.35 -0.00 0.00 1.34 0.00 0.00 72.50 72.36 1a9c s THR 107 CO -0.05 0.43 0.05 -0.24 -0.54 0.00 0.00 174.62 174.27 1a9c n SER 108 N 4.53 0.49 -3.94 3.99 2.88 -0.12 -4.49 113.62 116.96 1a9c n SER 108 Ca -0.17 -1.49 -0.20 0.00 -1.33 0.00 0.00 58.87 55.69 1a9c n SER 108 Cb 0.51 0.29 -0.16 0.00 -0.75 0.00 0.00 64.21 64.10 1a9c n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1a9c s THR 109 N -2.07 0.60 0.21 2.46 2.01 -1.25 -1.08 115.64 116.53 1a9c s THR 109 Ca 0.06 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 1a9c s THR 109 Cb 0.00 -0.58 -0.08 0.00 0.01 0.00 0.00 72.50 71.85 1a9c s THR 109 CO 0.05 0.22 1.17 -0.94 -0.69 0.00 0.00 174.62 174.43 1a9c s SER 110 N 0.55 7.13 0.48 3.53 1.04 0.40 -0.25 113.70 126.58 1a9c s SER 110 Ca -0.08 2.25 0.28 0.00 0.48 0.00 0.00 55.95 58.88 1a9c s SER 110 Cb -0.11 -2.61 0.86 0.00 0.10 0.00 0.00 66.02 64.26 1a9c s SER 110 CO 0.00 -0.32 1.80 1.05 0.98 0.00 0.00 173.24 176.75 1a9c h GLU 111 N 4.85 0.00 -0.04 4.02 4.11 -1.34 0.21 114.58 126.40 1a9c h GLU 111 Ca -0.45 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.80 1a9c h GLU 111 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1a9c h GLU 111 CO 0.72 0.00 -0.75 0.45 0.07 0.00 0.00 179.01 179.50 1a9c h HIS 112 N 0.00 0.33 0.00 2.06 3.86 -1.91 -3.38 115.15 116.12 1a9c h HIS 112 Ca 0.00 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1a9c h HIS 112 Cb 0.74 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1a9c h HIS 112 CO 0.00 0.90 0.00 0.72 0.86 0.00 0.00 177.93 180.41 1a9c n HIS 113 N -3.77 0.00 -3.73 2.45 8.25 -1.23 -5.02 115.22 112.18 1a9c n HIS 113 Ca -0.03 -0.01 -0.25 0.00 -0.26 0.00 0.00 57.72 57.17 1a9c n HIS 113 Cb 0.72 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.88 1a9c n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1a9c n PHE 114 N -0.01 -2.36 -4.34 4.41 3.01 0.75 -4.99 117.46 113.94 1a9c n PHE 114 Ca 0.00 0.92 -0.29 0.00 1.01 0.00 0.00 57.45 59.10 1a9c n PHE 114 Cb 0.19 -4.47 -0.12 0.00 -0.01 0.00 0.00 39.48 35.06 1a9c n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1a9c s VAL 115 N -3.40 2.64 0.26 -4.37 1.01 -1.24 -4.83 120.40 110.48 1a9c s VAL 115 Ca 0.42 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1a9c s VAL 115 Cb -0.20 -2.21 -0.14 0.00 0.00 0.00 0.00 36.38 33.83 1a9c s VAL 115 CO 0.79 0.07 1.16 0.41 0.00 0.00 0.00 175.10 177.53 1a9c n THR 116 N 0.76 1.58 -3.99 3.92 -1.04 -1.26 -0.46 114.28 113.79 1a9c n THR 116 Ca -0.16 -0.39 -0.30 0.00 -2.04 0.00 0.00 64.05 61.16 1a9c n THR 116 Cb 0.53 -1.14 -0.16 0.00 -1.82 0.00 0.00 70.33 67.74 1a9c n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1a9c s ILE 117 N -0.70 1.52 -0.17 12.58 1.01 -0.24 -1.11 121.20 134.09 1a9c s ILE 117 Ca 0.63 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1a9c s ILE 117 Cb -0.70 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.27 1a9c s ILE 117 CO 0.57 0.33 -0.21 -0.62 0.00 0.00 0.00 174.94 175.02 1a9c s ASP 118 N 1.48 3.12 0.00 3.58 2.15 -0.42 -0.94 116.67 125.63 1a9c s ASP 118 Ca 0.03 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.38 1a9c s ASP 118 Cb -0.14 -1.46 0.00 0.00 -0.30 0.00 0.00 42.92 41.02 1a9c s ASP 118 CO -0.10 0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 1a9c n GLY 119 N 4.42 2.50 2.86 2.66 0.00 0.54 -0.72 105.19 117.45 1a9c n GLY 119 Ca -0.21 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1a9c n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9c s LYS 120 N -1.29 0.01 0.11 1.61 1.02 -0.17 -0.95 119.74 120.09 1a9c s LYS 120 Ca 0.00 0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.12 1a9c s LYS 120 Cb 0.00 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 1a9c s LYS 120 CO 0.00 -0.05 0.03 0.00 -0.92 0.00 0.00 175.35 174.41 1a9c s ALA 121 N 0.32 3.35 -0.13 5.17 0.00 -0.06 -1.86 121.76 128.55 1a9c s ALA 121 Ca -0.03 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1a9c s ALA 121 Cb -0.04 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.88 1a9c s ALA 121 CO -0.01 0.67 -0.09 0.99 0.00 0.00 0.00 175.76 177.31 1a9c s THR 122 N -1.41 1.21 -0.03 0.00 2.01 -0.06 -0.32 115.64 117.03 1a9c s THR 122 Ca 0.27 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 61.89 1a9c s THR 122 Cb -0.11 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1a9c s THR 122 CO 0.19 0.36 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.55 1a9c s VAL 123 N 1.63 1.97 0.00 3.82 1.01 -0.02 -1.38 120.40 127.43 1a9c s VAL 123 Ca 0.04 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 1a9c s VAL 123 Cb -0.13 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1a9c s VAL 123 CO -0.09 0.55 0.13 0.00 0.00 0.00 0.00 175.10 175.69 1a9c s ALA 124 N -0.42 -0.30 0.13 5.51 0.00 -0.75 0.10 121.76 126.04 1a9c s ALA 124 Ca 0.05 -0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.68 1a9c s ALA 124 Cb -0.11 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.15 1a9c s ALA 124 CO 0.01 -0.20 0.48 1.52 0.00 0.00 0.00 175.76 177.58 1a9c s TYR 125 N -1.30 -0.35 -0.32 0.00 1.13 -0.53 -1.14 117.35 114.84 1a9c s TYR 125 Ca -0.14 0.11 -0.07 0.00 -1.41 0.00 0.00 57.07 55.56 1a9c s TYR 125 Cb -0.07 0.37 0.02 0.00 -1.10 0.00 0.00 41.96 41.18 1a9c s TYR 125 CO 0.01 -0.75 0.11 0.42 -2.51 0.00 0.00 175.55 172.84 1a9c s ILE 126 N -3.63 4.00 0.18 -3.49 1.01 -0.91 -0.51 121.20 117.87 1a9c s ILE 126 Ca 0.01 -0.87 -0.33 0.00 0.00 0.00 0.00 60.65 59.46 1a9c s ILE 126 Cb 0.01 -3.16 -0.14 0.00 0.01 0.00 0.00 42.46 39.17 1a9c s ILE 126 CO -0.11 -0.06 1.42 -2.65 0.00 0.00 0.00 174.94 173.54 1a9c n PRO 127 N 4.87 1.84 0.00 2.79 -0.02 -1.26 -4.85 135.00 138.36 1a9c n PRO 127 Ca -0.13 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1a9c n PRO 127 Cb 0.46 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1a9c n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1a9c n LYS 128 N 2.51 0.00 0.06 -0.52 4.81 -1.26 -4.71 118.16 119.06 1a9c n LYS 128 Ca 0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.56 1a9c n LYS 128 Cb 0.28 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.26 1a9c n LYS 128 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1a9c h ASP 129 N 0.00 0.00 -4.55 3.14 3.32 -1.90 -3.45 116.42 112.98 1a9c h ASP 129 Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1a9c h ASP 129 Cb 0.00 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.39 1a9c h ASP 129 CO 0.00 0.75 -0.70 -0.94 -1.72 0.00 0.00 179.24 176.63 1a9c s SER 130 N -6.29 1.19 -0.15 6.45 1.04 -1.26 -1.32 113.70 113.35 1a9c s SER 130 Ca -0.00 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.46 1a9c s SER 130 Cb 0.09 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1a9c s SER 130 CO 0.80 -0.42 -0.11 -0.69 0.98 0.00 0.00 173.24 173.80 1a9c s VAL 131 N -3.32 3.15 0.29 5.02 1.01 0.22 -4.74 120.40 122.03 1a9c s VAL 131 Ca 0.10 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1a9c s VAL 131 Cb 0.03 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 1a9c s VAL 131 CO -0.04 0.50 0.78 -0.51 0.00 0.00 0.00 175.10 175.83 1a9c s ILE 132 N 0.63 4.56 0.09 2.22 2.07 -1.26 -0.48 121.20 129.03 1a9c s ILE 132 Ca -0.06 1.23 -0.31 0.00 -1.41 0.00 0.00 60.65 60.10 1a9c s ILE 132 Cb -0.15 -3.75 -0.09 0.00 0.13 0.00 0.00 42.46 38.60 1a9c s ILE 132 CO 0.03 -0.01 1.68 -0.83 -1.91 0.00 0.00 174.94 173.90 1a9c s GLY 133 N -1.95 1.51 0.23 1.50 0.00 -0.72 -4.90 107.32 103.00 1a9c s GLY 133 Ca 0.50 1.28 -0.16 0.00 0.00 0.00 0.00 44.72 46.34 1a9c s GLY 133 CO 0.19 2.91 1.56 1.41 0.00 0.00 0.00 173.10 179.16 1a9c h LEU 134 N 8.32 -1.32 -2.19 0.66 3.38 -1.94 0.28 115.31 122.51 1a9c h LEU 134 Ca -0.43 0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1a9c h LEU 134 Cb 1.20 0.71 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 1a9c h LEU 134 CO 0.93 -0.30 0.06 0.77 0.09 0.00 0.00 178.44 179.99 1a9c h SER 135 N -0.02 0.00 -0.26 -0.43 4.64 -2.00 -2.02 113.55 113.47 1a9c h SER 135 Ca 0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 1a9c h SER 135 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1a9c h SER 135 CO -0.96 0.00 0.11 0.11 -0.87 0.00 0.00 176.83 175.22 1a9c h LYS 136 N 0.00 0.45 -0.33 4.77 1.79 -1.30 0.30 116.57 122.24 1a9c h LYS 136 Ca 0.03 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1a9c h LYS 136 Cb 0.15 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1a9c h LYS 136 CO -0.00 0.39 0.15 0.82 -1.08 0.00 0.00 179.45 179.72 1a9c h ILE 137 N 0.45 1.17 -0.04 1.86 2.04 -1.42 -0.05 117.51 121.51 1a9c h ILE 137 Ca 0.11 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1a9c h ILE 137 Cb 0.12 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1a9c h ILE 137 CO -0.01 0.18 0.03 0.78 0.00 0.00 0.00 178.15 179.13 1a9c h ASN 138 N 0.39 0.05 -0.75 1.72 2.35 -1.39 -1.68 115.58 116.27 1a9c h ASN 138 Ca 0.11 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1a9c h ASN 138 Cb 0.15 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 1a9c h ASN 138 CO -0.01 0.06 0.46 0.03 -1.65 0.00 0.00 177.43 176.32 1a9c h ARG 139 N 0.03 0.84 -0.39 0.81 3.08 -0.69 -1.10 114.38 116.97 1a9c h ARG 139 Ca 0.02 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1a9c h ARG 139 Cb 0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1a9c h ARG 139 CO -0.00 0.56 0.06 0.82 -1.07 0.00 0.00 179.97 180.33 1a9c h ILE 140 N 0.86 1.24 0.17 2.04 2.04 -0.82 -0.90 117.51 122.15 1a9c h ILE 140 Ca 0.31 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1a9c h ILE 140 Cb 0.09 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1a9c h ILE 140 CO -0.14 0.29 -0.27 0.58 0.00 0.00 0.00 178.15 178.61 1a9c h VAL 141 N 0.49 0.41 -0.80 1.67 2.07 -0.82 -2.11 116.25 117.16 1a9c h VAL 141 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1a9c h VAL 141 Cb 0.37 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1a9c h VAL 141 CO 0.01 0.00 0.52 -0.61 0.02 0.00 0.00 177.57 177.51 1a9c h GLN 142 N -0.51 0.86 0.53 1.57 4.15 -1.12 -1.03 115.11 119.56 1a9c h GLN 142 Ca 0.02 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1a9c h GLN 142 Cb 0.52 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1a9c h GLN 142 CO -0.13 0.57 -0.46 0.35 -1.93 0.00 0.00 178.83 177.23 1a9c h PHE 143 N 0.88 -1.27 0.00 3.99 3.57 -0.50 -0.53 116.94 123.08 1a9c h PHE 143 Ca 0.34 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 1a9c h PHE 143 Cb 0.21 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1a9c h PHE 143 CO -0.00 -0.64 -0.12 0.74 -2.23 0.00 0.00 178.31 176.05 1a9c h PHE 144 N -0.98 0.00 -0.14 0.41 0.04 -1.25 -2.21 116.94 112.82 1a9c h PHE 144 Ca -0.06 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.58 1a9c h PHE 144 Cb 0.84 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 1a9c h PHE 144 CO -0.21 0.12 -0.49 0.00 -0.60 0.00 0.00 178.31 177.13 1a9c h ALA 145 N 1.88 0.91 0.00 2.45 0.00 -0.59 -3.32 119.26 120.60 1a9c h ALA 145 Ca -0.00 -0.47 -0.52 0.00 0.00 0.00 0.00 54.91 53.92 1a9c h ALA 145 Cb 0.48 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.20 1a9c h ALA 145 CO 0.02 0.66 3.05 1.04 0.00 0.00 0.00 179.25 184.02 1a9c n GLN 146 N -3.97 2.94 -3.49 0.00 1.13 -0.26 -4.17 117.38 109.56 1a9c n GLN 146 Ca -0.02 -1.81 -0.12 0.00 -1.94 0.00 0.00 57.00 53.11 1a9c n GLN 146 Cb 0.55 -2.59 -0.03 0.00 0.11 0.00 0.00 30.24 28.27 1a9c n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1a9c s ARG 147 N 2.54 1.21 -0.33 -1.09 0.52 -1.14 -0.62 118.95 120.03 1a9c s ARG 147 Ca 0.58 -0.52 -0.29 0.00 -0.52 0.00 0.00 55.73 54.98 1a9c s ARG 147 Cb 0.16 0.55 -0.01 0.00 0.52 0.00 0.00 34.95 36.17 1a9c s ARG 147 CO -0.05 -0.51 1.52 -2.14 0.02 0.00 0.00 175.30 174.14 1a9c s PRO 148 N -3.68 3.63 0.50 3.54 0.02 -1.26 -3.81 135.00 133.94 1a9c s PRO 148 Ca 0.01 1.25 0.05 0.00 0.02 0.00 0.00 61.00 62.33 1a9c s PRO 148 Cb -0.00 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.48 1a9c s PRO 148 CO -0.12 -1.49 0.24 -0.65 -0.33 0.00 0.00 177.00 174.65 1a9c s GLN 149 N 4.90 2.24 -0.09 5.54 -1.52 0.66 -4.58 119.66 126.81 1a9c s GLN 149 Ca 0.67 -2.08 -0.03 0.00 -1.95 0.00 0.00 55.36 51.97 1a9c s GLN 149 Cb -0.18 -1.92 0.04 0.00 -0.22 0.00 0.00 33.01 30.73 1a9c s GLN 149 CO 0.31 -0.43 0.05 0.08 -0.25 0.00 0.00 175.29 175.05 1a9c s VAL 150 N -2.76 0.08 0.32 1.09 1.01 -1.26 -1.05 120.40 117.83 1a9c s VAL 150 Ca 0.28 0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.50 1a9c s VAL 150 Cb 0.00 -0.41 0.32 0.00 0.00 0.00 0.00 36.38 36.29 1a9c s VAL 150 CO 0.16 0.07 1.66 -0.61 0.00 0.00 0.00 175.10 176.39 1a9c h GLN 151 N 8.39 0.28 -0.97 2.72 4.15 -1.99 0.24 115.11 127.93 1a9c h GLN 151 Ca -0.15 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.29 1a9c h GLN 151 Cb 1.13 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.70 1a9c h GLN 151 CO 0.22 0.18 0.63 0.93 -1.93 0.00 0.00 178.83 178.87 1a9c h GLU 152 N 0.29 1.19 -0.02 1.69 3.07 -1.99 -1.90 114.58 116.90 1a9c h GLU 152 Ca 0.66 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 59.39 1a9c h GLU 152 Cb 1.45 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1a9c h GLU 152 CO -0.62 0.78 -0.23 -0.09 -1.40 0.00 0.00 179.01 177.45 1a9c h ARG 153 N 1.22 0.19 -0.65 2.33 2.43 -1.01 -3.19 114.38 115.70 1a9c h ARG 153 Ca 0.38 -0.18 0.14 0.00 -0.81 0.00 0.00 59.98 59.51 1a9c h ARG 153 Cb 0.00 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 29.49 1a9c h ARG 153 CO -0.12 0.88 0.03 1.25 -1.51 0.00 0.00 179.97 180.50 1a9c h LEU 154 N -0.42 -0.24 -0.46 3.80 5.85 -0.89 0.25 115.31 123.20 1a9c h LEU 154 Ca -0.02 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1a9c h LEU 154 Cb 0.94 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1a9c h LEU 154 CO 0.05 -0.11 0.27 0.74 -0.34 0.00 0.00 178.44 179.05 1a9c h THR 155 N 0.14 1.05 0.09 1.05 2.02 -1.43 -2.01 112.91 113.81 1a9c h THR 155 Ca 0.35 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1a9c h THR 155 Cb 0.57 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1a9c h THR 155 CO -0.55 0.10 -0.08 1.56 0.37 0.00 0.00 175.52 176.93 1a9c h GLN 156 N 0.54 -0.17 -0.11 6.66 1.08 -1.09 -1.77 115.11 120.25 1a9c h GLN 156 Ca 0.18 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.44 1a9c h GLN 156 Cb 0.01 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 1a9c h GLN 156 CO -0.08 -0.12 -0.21 1.96 -0.95 0.00 0.00 178.83 179.43 1a9c h GLN 157 N -0.18 -0.27 -0.75 1.46 4.20 -0.80 -1.00 115.11 117.77 1a9c h GLN 157 Ca 0.00 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.81 1a9c h GLN 157 Cb 0.17 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 1a9c h GLN 157 CO -0.01 -0.18 0.42 0.82 -0.67 0.00 0.00 178.83 179.20 1a9c h ILE 158 N -0.28 0.92 0.22 2.54 2.04 -1.23 0.11 117.51 121.84 1a9c h ILE 158 Ca 0.09 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1a9c h ILE 158 Cb 0.42 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1a9c h ILE 158 CO -0.27 0.13 -0.21 0.25 0.00 0.00 0.00 178.15 178.04 1a9c h LEU 159 N 0.73 -0.57 -0.23 1.44 5.85 -0.59 -2.02 115.31 119.92 1a9c h LEU 159 Ca 0.36 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.12 1a9c h LEU 159 Cb 0.30 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1a9c h LEU 159 CO -0.23 -0.32 0.13 0.40 -0.34 0.00 0.00 178.44 178.08 1a9c h ILE 160 N -0.47 1.11 -0.61 4.05 2.04 -0.54 -0.44 117.51 122.65 1a9c h ILE 160 Ca -0.00 -0.29 0.12 0.00 1.00 0.00 0.00 64.86 65.68 1a9c h ILE 160 Cb 0.43 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 37.31 1a9c h ILE 160 CO -0.04 0.11 0.09 0.00 0.00 0.00 0.00 178.15 178.31 1a9c h ALA 161 N 1.01 0.69 -0.20 1.87 0.00 -0.70 -0.02 119.26 121.92 1a9c h ALA 161 Ca 0.08 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1a9c h ALA 161 Cb 0.06 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a9c h ALA 161 CO -0.01 -0.34 -0.13 -0.07 0.00 0.00 0.00 179.25 178.70 1a9c h LEU 162 N 0.21 0.46 -0.79 0.00 3.38 -1.12 -1.64 115.31 115.81 1a9c h LEU 162 Ca 0.32 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1a9c h LEU 162 Cb 0.50 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1a9c h LEU 162 CO -0.45 0.79 0.44 1.56 0.09 0.00 0.00 178.44 180.88 1a9c h GLN 163 N 0.12 0.73 0.59 1.13 4.20 -0.42 0.18 115.11 121.64 1a9c h GLN 163 Ca 0.04 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1a9c h GLN 163 Cb 0.63 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.25 1a9c h GLN 163 CO 0.03 0.49 -0.28 1.15 -0.67 0.00 0.00 178.83 179.55 1a9c h THR 164 N 0.76 0.35 -0.84 -0.54 2.02 -0.97 -1.07 112.91 112.62 1a9c h THR 164 Ca 0.38 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1a9c h THR 164 Cb 0.34 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1a9c h THR 164 CO -0.24 0.03 0.42 -0.07 0.37 0.00 0.00 175.52 176.03 1a9c h LEU 165 N -0.96 1.08 0.00 2.58 3.38 -0.95 -2.96 115.31 117.48 1a9c h LEU 165 Ca -0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1a9c h LEU 165 Cb 0.66 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1a9c h LEU 165 CO 0.13 0.89 -0.11 -0.07 0.09 0.00 0.00 178.44 179.37 1a9c h LEU 166 N 1.18 0.00 -0.14 1.67 3.38 -0.70 -3.48 115.31 117.23 1a9c h LEU 166 Ca 0.29 -0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.96 1a9c h LEU 166 Cb 0.09 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.91 1a9c h LEU 166 CO -0.04 0.01 -0.43 0.61 0.09 0.00 0.00 178.44 178.68 1a9c n GLY 167 N 1.27 -0.10 3.21 0.83 0.00 -0.43 -4.66 105.19 105.31 1a9c n GLY 167 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1a9c n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9c s THR 168 N -3.08 0.06 -0.88 2.61 2.01 -1.05 -4.88 115.64 110.43 1a9c s THR 168 Ca 0.30 -0.47 0.23 0.00 0.31 0.00 0.00 61.69 62.06 1a9c s THR 168 Cb -0.13 -0.57 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 1a9c s THR 168 CO 0.37 -0.26 1.17 0.59 -0.69 0.00 0.00 174.62 175.79 1a9c n ASN 169 N 1.45 0.66 -4.06 3.53 3.02 -1.26 -4.33 115.26 114.26 1a9c n ASN 169 Ca -0.21 -0.42 -0.40 0.00 -0.03 0.00 0.00 54.58 53.52 1a9c n ASN 169 Cb 0.56 0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 40.31 1a9c n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a9c n ASN 170 N -1.65 3.62 -4.01 6.41 3.02 -1.26 -1.20 115.26 120.18 1a9c n ASN 170 Ca 0.04 -2.79 -0.12 0.00 -0.03 0.00 0.00 54.58 51.68 1a9c n ASN 170 Cb 0.37 -1.55 -0.12 0.00 -0.61 0.00 0.00 39.78 37.87 1a9c n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a9c s VAL 171 N 5.37 0.37 -0.06 2.41 1.01 -1.24 -2.14 120.40 126.11 1a9c s VAL 171 Ca 0.55 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1a9c s VAL 171 Cb 0.09 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1a9c s VAL 171 CO 0.05 -0.33 0.14 0.00 0.00 0.00 0.00 175.10 174.95 1a9c s ALA 172 N -1.17 -0.31 -0.03 5.51 0.00 -0.29 -0.06 121.76 125.40 1a9c s ALA 172 Ca -0.10 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1a9c s ALA 172 Cb -0.08 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1a9c s ALA 172 CO -0.00 -0.09 -0.08 0.08 0.00 0.00 0.00 175.76 175.67 1a9c s VAL 173 N 0.40 0.74 -0.03 0.00 1.01 -0.25 -1.80 120.40 120.46 1a9c s VAL 173 Ca -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1a9c s VAL 173 Cb -0.04 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.67 1a9c s VAL 173 CO -0.02 0.24 -0.07 -0.55 0.00 0.00 0.00 175.10 174.71 1a9c s SER 174 N 0.39 1.05 -0.06 3.32 0.15 -0.48 -0.39 113.70 117.68 1a9c s SER 174 Ca -0.06 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.46 1a9c s SER 174 Cb -0.10 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.86 1a9c s SER 174 CO 0.01 0.02 -0.13 -0.63 1.20 0.00 0.00 173.24 173.71 1a9c s ILE 175 N 0.43 1.21 -0.18 6.45 1.01 0.78 -0.89 121.20 130.01 1a9c s ILE 175 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1a9c s ILE 175 Cb -0.10 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.29 1a9c s ILE 175 CO 0.00 0.37 -0.16 -0.62 0.00 0.00 0.00 174.94 174.53 1a9c s ASP 176 N 0.58 3.45 0.09 3.58 -1.08 -0.77 -0.81 116.67 121.70 1a9c s ASP 176 Ca -0.14 -0.56 -0.09 0.00 -0.52 0.00 0.00 52.55 51.24 1a9c s ASP 176 Cb -0.15 -1.54 -0.00 0.00 -1.46 0.00 0.00 42.92 39.76 1a9c s ASP 176 CO 0.04 0.02 0.20 0.00 0.52 0.00 0.00 175.17 175.95 1a9c s ALA 177 N 1.18 -0.25 -0.17 3.66 0.00 0.27 -1.00 121.76 125.45 1a9c s ALA 177 Ca 0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 1a9c s ALA 177 Cb -0.14 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1a9c s ALA 177 CO -0.07 -0.51 -0.06 0.08 0.00 0.00 0.00 175.76 175.20 1a9c s VAL 178 N -3.80 3.55 -0.31 0.00 1.01 0.10 -0.68 120.40 120.27 1a9c s VAL 178 Ca 0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1a9c s VAL 178 Cb 0.05 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1a9c s VAL 178 CO -0.11 0.47 0.20 -1.00 0.00 0.00 0.00 175.10 174.66 1a9c s HIS 179 N 0.73 3.21 -0.86 5.22 3.76 -1.26 -1.31 115.29 124.78 1a9c s HIS 179 Ca -0.03 -0.22 0.16 0.00 -0.15 0.00 0.00 55.06 54.83 1a9c s HIS 179 Cb -0.15 -2.41 0.69 0.00 1.11 0.00 0.00 32.58 31.83 1a9c s HIS 179 CO 0.02 -0.33 1.51 0.66 -0.85 0.00 0.00 174.74 175.75 1a9c n TYR 180 N 5.06 0.21 1.61 1.40 4.02 -0.27 -1.45 117.16 127.73 1a9c n TYR 180 Ca -0.13 0.08 0.07 0.00 -0.01 0.00 0.00 57.90 57.91 1a9c n TYR 180 Cb 0.50 -0.63 0.33 0.00 -0.02 0.00 0.00 39.34 39.52 1a9c n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a9c n VAL 182 N -0.21 0.00 -0.06 0.00 0.31 -0.56 -4.67 118.33 113.13 1a9c n VAL 182 Ca 0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.37 1a9c n VAL 182 Cb 0.16 -0.57 -0.07 0.00 -0.91 0.00 0.00 33.84 32.46 1a9c n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1a9c h LYS 183 N 0.00 0.00 0.00 5.55 3.64 -1.23 -0.98 116.57 123.56 1a9c h LYS 183 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a9c h LYS 183 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1a9c h LYS 183 CO 0.00 0.50 0.00 0.00 -2.27 0.00 0.00 179.45 177.68 1a9c n ALA 184 N -2.74 1.90 -3.86 5.00 0.00 0.13 -4.11 120.51 116.84 1a9c n ALA 184 Ca -0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1a9c n ALA 184 Cb 0.26 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.38 1a9c n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a9c s ARG 185 N -3.05 1.53 6.94 0.00 3.00 -1.23 -4.96 118.95 121.18 1a9c s ARG 185 Ca 0.09 -0.98 0.00 0.00 -1.00 0.00 0.00 55.73 53.84 1a9c s ARG 185 Cb 0.12 0.44 0.00 0.00 0.00 0.00 0.00 34.95 35.51 1a9c s ARG 185 CO 0.39 -0.72 0.00 0.41 0.00 0.00 0.00 175.30 175.38 1a9c n GLY 186 N -0.64 2.22 0.08 8.12 0.00 -1.26 -1.99 105.19 111.72 1a9c n GLY 186 Ca -0.04 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1a9c n GLY 186 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1a9c n ILE 187 N 0.00 0.50 -3.88 -0.61 3.06 -1.26 -4.94 119.36 112.23 1a9c n ILE 187 Ca 0.00 -0.18 -0.28 0.00 -2.50 0.00 0.00 62.75 59.80 1a9c n ILE 187 Cb 0.00 -0.62 -0.00 0.00 0.54 0.00 0.00 39.64 39.56 1a9c n ILE 187 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1a9c n ARG 188 N -2.09 -2.70 -2.82 9.51 1.74 -0.60 -4.90 116.66 114.79 1a9c n ARG 188 Ca 0.06 0.41 -0.43 0.00 -0.77 0.00 0.00 57.85 57.12 1a9c n ARG 188 Cb 0.39 -4.37 -0.04 0.00 -1.02 0.00 0.00 32.46 27.42 1a9c n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a9c s ASP 189 N -4.11 6.33 0.12 0.55 -1.08 -0.47 -4.89 116.67 113.12 1a9c s ASP 189 Ca 0.14 -0.38 0.22 0.00 -0.52 0.00 0.00 52.55 52.01 1a9c s ASP 189 Cb -0.06 -2.44 0.88 0.00 -1.46 0.00 0.00 42.92 39.84 1a9c s ASP 189 CO 0.88 -1.27 1.68 0.00 0.52 0.00 0.00 175.17 176.98 1a9c n ALA 190 N 7.57 1.88 -0.03 3.66 0.00 -1.26 -4.09 120.51 128.24 1a9c n ALA 190 Ca 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1a9c n ALA 190 Cb 0.47 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 1a9c n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a9c n THR 191 N -1.86 0.31 -2.19 0.00 -2.24 -1.26 -5.05 114.28 102.00 1a9c n THR 191 Ca 0.04 -0.32 -0.36 0.00 -2.27 0.00 0.00 64.05 61.14 1a9c n THR 191 Cb 0.26 -0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 1a9c n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a9c s SER 192 N -3.67 5.71 0.00 3.42 1.04 -1.26 -5.06 113.70 113.88 1a9c s SER 192 Ca -0.04 2.28 -0.02 0.00 0.48 0.00 0.00 55.95 58.64 1a9c s SER 192 Cb 0.05 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 1a9c s SER 192 CO 0.42 -1.23 0.03 0.00 0.98 0.00 0.00 173.24 173.44 1a9c s ALA 193 N -1.66 -0.05 -0.09 5.32 0.00 -1.26 -4.76 121.76 119.26 1a9c s ALA 193 Ca 0.71 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 1a9c s ALA 193 Cb -0.27 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1a9c s ALA 193 CO 0.31 -0.13 -0.01 0.99 0.00 0.00 0.00 175.76 176.92 1a9c s THR 194 N -0.96 4.20 -0.10 0.00 2.01 0.14 -4.93 115.64 116.00 1a9c s THR 194 Ca -0.11 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 61.63 1a9c s THR 194 Cb -0.06 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.69 1a9c s THR 194 CO -0.00 0.59 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.45 1a9c s THR 195 N -0.74 1.64 0.02 -0.82 2.01 -1.26 -0.57 115.64 115.91 1a9c s THR 195 Ca 0.12 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.41 1a9c s THR 195 Cb -0.11 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 1a9c s THR 195 CO 0.02 0.47 -0.15 0.42 -0.69 0.00 0.00 174.62 174.69 1a9c s THR 196 N 0.69 1.16 0.02 -0.82 -4.23 0.01 -4.99 115.64 107.48 1a9c s THR 196 Ca -0.13 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1a9c s THR 196 Cb -0.16 -1.01 -0.01 0.00 1.34 0.00 0.00 72.50 72.65 1a9c s THR 196 CO 0.03 0.17 -0.04 0.42 -0.54 0.00 0.00 174.62 174.66 1a9c s THR 197 N -0.60 0.23 -0.09 3.99 -4.23 -1.26 -0.16 115.64 113.52 1a9c s THR 197 Ca 0.04 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1a9c s THR 197 Cb -0.07 -0.30 0.03 0.00 1.34 0.00 0.00 72.50 73.50 1a9c s THR 197 CO 0.00 -0.28 -0.03 -0.94 -0.54 0.00 0.00 174.62 172.83 1a9c s SER 198 N -0.99 1.90 -0.07 3.99 1.04 0.47 -4.99 113.70 115.04 1a9c s SER 198 Ca -0.09 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1a9c s SER 198 Cb -0.07 -0.63 -0.03 0.00 0.10 0.00 0.00 66.02 65.39 1a9c s SER 198 CO -0.00 -0.16 -0.05 -0.76 0.98 0.00 0.00 173.24 173.24 1a9c s LEU 199 N 1.85 3.26 0.18 2.42 1.43 -1.26 -1.09 118.68 125.47 1a9c s LEU 199 Ca 0.05 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.24 1a9c s LEU 199 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1a9c s LEU 199 CO -0.07 0.37 -0.15 -0.83 0.23 0.00 0.00 176.35 175.90 1a9c s GLY 200 N -0.83 1.36 0.00 -3.19 0.00 0.91 -4.71 107.32 100.85 1a9c s GLY 200 Ca 0.13 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1a9c s GLY 200 CO 0.02 -1.64 0.00 0.61 0.00 0.00 0.00 173.10 172.08 1a9c n GLY 201 N -0.08 2.69 0.38 0.20 0.00 -0.34 -1.73 105.19 106.30 1a9c n GLY 201 Ca -0.10 -0.15 0.20 0.00 0.00 0.00 0.00 46.02 45.97 1a9c n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a9c h LEU 202 N 0.00 0.00 -0.53 0.99 3.38 -1.94 0.38 115.31 117.60 1a9c h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a9c h LEU 202 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a9c h LEU 202 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 1a9c n PHE 203 N -4.32 0.39 -0.04 1.13 3.72 -0.70 -0.85 117.46 116.79 1a9c n PHE 203 Ca 0.09 0.18 -0.05 0.00 -0.05 0.00 0.00 57.45 57.61 1a9c n PHE 203 Cb 0.58 -0.78 -0.03 0.00 -0.94 0.00 0.00 39.48 38.30 1a9c n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1a9c n LYS 204 N -1.88 0.18 0.18 -1.08 4.81 0.01 -4.09 118.16 116.30 1a9c n LYS 204 Ca 0.01 0.04 -0.10 0.00 -0.87 0.00 0.00 58.31 57.40 1a9c n LYS 204 Cb 0.11 -1.12 -0.05 0.00 0.02 0.00 0.00 35.03 33.98 1a9c n LYS 204 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1a9c h SER 205 N -0.02 -0.44 -3.45 3.14 0.02 -1.08 -3.43 113.55 108.29 1a9c h SER 205 Ca -0.16 -0.06 -0.58 0.00 -0.84 0.00 0.00 61.79 60.14 1a9c h SER 205 Cb 1.25 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.82 1a9c h SER 205 CO -0.03 0.00 0.76 -0.55 -1.14 0.00 0.00 176.83 175.87 1a9c s SER 206 N -4.99 6.78 0.46 3.07 0.15 -0.03 -4.90 113.70 114.24 1a9c s SER 206 Ca -0.10 0.77 0.17 0.00 0.70 0.00 0.00 55.95 57.49 1a9c s SER 206 Cb 0.01 -2.51 1.07 0.00 -1.71 0.00 0.00 66.02 62.88 1a9c s SER 206 CO 0.33 -0.93 2.00 -0.61 1.20 0.00 0.00 173.24 175.22 1a9c h GLN 207 N 8.43 0.00 0.54 5.44 4.15 -1.84 0.59 115.11 132.43 1a9c h GLN 207 Ca -0.22 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 1a9c h GLN 207 Cb 1.07 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.76 1a9c h GLN 207 CO 1.03 0.18 -0.26 -0.97 -1.93 0.00 0.00 178.83 176.88 1a9c h ASN 208 N 0.00 -0.62 -0.02 -0.69 -1.24 -1.91 -1.18 115.58 109.91 1a9c h ASN 208 Ca -0.00 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 1a9c h ASN 208 Cb 0.34 0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.55 1a9c h ASN 208 CO 0.02 -0.38 0.01 0.74 -1.29 0.00 0.00 177.43 176.54 1a9c h THR 209 N -0.82 1.08 -0.42 -3.57 2.02 -1.72 -2.50 112.91 106.98 1a9c h THR 209 Ca -0.07 -0.22 0.08 0.00 0.77 0.00 0.00 66.41 66.97 1a9c h THR 209 Cb 0.60 1.18 -0.09 0.00 -1.74 0.00 0.00 68.15 68.09 1a9c h THR 209 CO 0.12 0.06 -0.29 -0.09 0.37 0.00 0.00 175.52 175.69 1a9c h ARG 210 N -0.05 -0.20 -0.15 6.66 2.43 -0.86 -1.64 114.38 120.57 1a9c h ARG 210 Ca 0.01 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1a9c h ARG 210 Cb 0.09 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1a9c h ARG 210 CO -0.00 -0.13 -0.35 0.45 -1.51 0.00 0.00 179.97 178.42 1a9c h HIS 211 N -0.21 0.35 -0.95 2.20 3.86 -1.17 -1.64 115.15 117.59 1a9c h HIS 211 Ca 0.19 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1a9c h HIS 211 Cb 0.51 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.85 1a9c h HIS 211 CO -0.52 0.62 0.62 0.93 0.86 0.00 0.00 177.93 180.45 1a9c h GLU 212 N 0.26 1.21 0.20 2.45 5.08 -0.85 0.61 114.58 123.54 1a9c h GLU 212 Ca 0.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1a9c h GLU 212 Cb 0.75 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1a9c h GLU 212 CO 0.06 0.80 -0.09 0.35 -1.00 0.00 0.00 179.01 179.12 1a9c h PHE 213 N 1.25 -0.24 -1.00 4.33 3.57 -1.13 -2.80 116.94 120.91 1a9c h PHE 213 Ca 0.36 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.95 1a9c h PHE 213 Cb -0.09 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 1a9c h PHE 213 CO -0.01 0.14 0.64 -0.07 -2.23 0.00 0.00 178.31 176.78 1a9c h LEU 214 N -0.70 0.98 -0.95 0.59 3.38 -1.08 -0.51 115.31 117.01 1a9c h LEU 214 Ca -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1a9c h LEU 214 Cb 0.49 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1a9c h LEU 214 CO 0.04 0.57 0.52 -0.09 0.09 0.00 0.00 178.44 179.58 1a9c h ARG 215 N 1.08 1.25 0.00 1.13 2.43 -0.93 -2.20 114.38 117.14 1a9c h ARG 215 Ca 0.46 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1a9c h ARG 215 Cb 0.33 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1a9c h ARG 215 CO -0.21 0.90 0.00 0.00 -1.51 0.00 0.00 179.97 179.14 1a9c h ALA 216 N 1.30 1.00 -2.80 2.80 0.00 -0.84 -3.45 119.26 117.27 1a9c h ALA 216 Ca 0.32 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.72 1a9c h ALA 216 Cb -0.01 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.85 1a9c h ALA 216 CO -0.06 0.00 0.55 0.08 0.00 0.00 0.00 179.25 179.83 1a9c s VAL 217 N -3.56 2.93 0.07 0.00 1.01 -0.76 -4.78 120.40 115.33 1a9c s VAL 217 Ca 0.02 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1a9c s VAL 217 Cb 0.09 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1a9c s VAL 217 CO 0.53 0.10 0.00 -1.14 0.00 0.00 0.00 175.10 174.59 1a9c n ARG 218 N 0.18 -1.60 -3.68 2.72 3.00 -1.26 -5.04 116.66 110.97 1a9c n ARG 218 Ca 0.04 1.41 -0.13 0.00 -0.00 0.00 0.00 57.85 59.16 1a9c n ARG 218 Cb 0.45 -1.23 -0.13 0.00 0.00 0.00 0.00 32.46 31.55 1a9c n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1a9c s HIS 219 N -0.43 -0.42 0.11 -0.14 3.76 -1.26 -5.13 115.29 111.78 1a9c s HIS 219 Ca 0.00 0.96 -0.31 0.00 -0.15 0.00 0.00 55.06 55.56 1a9c s HIS 219 Cb 0.00 0.01 -0.09 0.00 1.11 0.00 0.00 32.58 33.61 1a9c s HIS 219 CO 0.00 -0.33 1.59 -1.01 -0.85 0.00 0.00 174.74 174.14 1a9c s HIS 220 N 2.08 2.76 0.00 1.40 3.76 -1.26 -4.94 115.29 119.09 1a9c s HIS 220 Ca -0.02 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 1a9c s HIS 220 Cb -0.11 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.66 1a9c s HIS 220 CO -0.09 -3.52 0.00 0.09 -0.85 0.00 0.00 174.74 170.37