#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 -4.80 3.54 2.88 -1.26 -5.13 113.62 108.85 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 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.28 4.44 0.81 2.46 1.43 -1.26 -4.92 118.68 120.36 1a9c s LEU 3 Ca 0.00 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 1a9c s LEU 3 Cb 0.00 -3.46 0.08 0.00 0.03 0.00 0.00 46.19 42.84 1a9c s LEU 3 CO 0.00 0.11 1.09 -0.94 0.23 0.00 0.00 176.35 176.84 1a9c s SER 4 N -1.44 4.34 0.21 2.29 1.04 -1.26 -4.80 113.70 114.08 1a9c s SER 4 Ca 0.40 1.39 -0.09 0.00 0.48 0.00 0.00 55.95 58.13 1a9c s SER 4 Cb -0.19 -2.12 0.26 0.00 0.10 0.00 0.00 66.02 64.07 1a9c s SER 4 CO 0.23 -2.08 1.80 0.11 0.98 0.00 0.00 173.24 174.28 1a9c h LYS 5 N -1.16 0.65 0.38 4.02 1.57 -1.99 -0.99 116.57 119.05 1a9c h LYS 5 Ca -0.47 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 1a9c h LYS 5 Cb 1.27 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1a9c h LYS 5 CO 0.58 0.43 -0.21 0.93 -0.57 0.00 0.00 179.45 180.61 1a9c h GLU 6 N 0.66 -0.53 -0.61 3.15 3.07 -1.97 0.45 114.58 118.80 1a9c h GLU 6 Ca 0.31 0.04 0.11 0.00 -0.50 0.00 0.00 59.36 59.32 1a9c h GLU 6 Cb 0.23 0.12 -0.08 0.00 -0.84 0.00 0.00 28.75 28.17 1a9c h GLU 6 CO -0.20 -0.35 0.16 0.00 -1.40 0.00 0.00 179.01 177.22 1a9c h ALA 7 N 0.07 0.76 0.15 3.43 0.00 -1.80 0.30 119.26 122.15 1a9c h ALA 7 Ca -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a9c h ALA 7 Cb 0.43 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1a9c h ALA 7 CO 0.07 -0.27 -0.10 0.00 0.00 0.00 0.00 179.25 178.94 1a9c h ALA 8 N 1.47 -0.23 -0.06 0.00 0.00 -0.88 -1.01 119.26 118.55 1a9c h ALA 8 Ca 0.32 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1a9c h ALA 8 Cb 0.46 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1a9c h ALA 8 CO -0.38 -0.64 -0.21 -0.07 0.00 0.00 0.00 179.25 177.95 1a9c h LEU 9 N -0.25 -0.64 -0.18 0.00 3.38 -0.02 -0.95 115.31 116.64 1a9c h LEU 9 Ca -0.01 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1a9c h LEU 9 Cb 0.21 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1a9c h LEU 9 CO 0.01 -0.27 0.09 0.58 0.09 0.00 0.00 178.44 178.94 1a9c h VAL 10 N -0.31 1.00 -0.26 1.22 2.07 -0.91 -1.11 116.25 117.96 1a9c h VAL 10 Ca 0.08 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1a9c h VAL 10 Cb 0.42 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1a9c h VAL 10 CO -0.24 0.04 0.02 -0.74 0.02 0.00 0.00 177.57 176.67 1a9c h HIS 11 N 0.20 0.02 -0.23 1.57 -0.00 -0.89 -0.67 115.15 115.15 1a9c h HIS 11 Ca 0.07 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.47 1a9c h HIS 11 Cb 0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 1a9c h HIS 11 CO -0.09 -0.02 0.13 0.93 -0.00 0.00 0.00 177.93 178.88 1a9c h GLU 12 N 0.10 0.26 -0.55 5.26 5.08 -1.01 -1.30 114.58 122.43 1a9c h GLU 12 Ca 0.12 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.56 1a9c h GLU 12 Cb 0.15 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 1a9c h GLU 12 CO -0.19 0.18 0.16 0.00 -1.00 0.00 0.00 179.01 178.15 1a9c h ALA 13 N 1.11 0.66 0.15 3.43 0.00 -0.72 0.23 119.26 124.12 1a9c h ALA 13 Ca 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1a9c h ALA 13 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1a9c h ALA 13 CO -0.05 -0.25 -0.07 -0.07 0.00 0.00 0.00 179.25 178.81 1a9c h LEU 14 N 0.32 -0.17 -0.65 0.00 3.38 -0.88 -1.77 115.31 115.54 1a9c h LEU 14 Ca 0.27 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1a9c h LEU 14 Cb 0.35 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1a9c h LEU 14 CO -0.31 -0.01 0.27 0.58 0.09 0.00 0.00 178.44 179.06 1a9c h VAL 15 N -0.32 0.78 -0.44 1.22 2.07 -0.48 0.16 116.25 119.24 1a9c h VAL 15 Ca -0.02 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1a9c h VAL 15 Cb 0.26 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1a9c h VAL 15 CO 0.03 0.08 0.18 0.00 0.02 0.00 0.00 177.57 177.88 1a9c h ALA 16 N 1.44 0.53 0.00 1.67 0.00 -0.36 -1.06 119.26 121.47 1a9c h ALA 16 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1a9c h ALA 16 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1a9c h ALA 16 CO -0.31 -0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.28 1a9c n ARG 17 N -4.97 0.05 -1.69 0.00 3.00 -0.62 -4.90 116.66 107.52 1a9c n ARG 17 Ca 0.03 0.01 -0.04 0.00 -0.01 0.00 0.00 57.85 57.84 1a9c n ARG 17 Cb 0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.10 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 1.38 0.40 1.22 -0.13 0.00 0.42 -4.94 105.19 103.54 1a9c n GLY 18 Ca 0.08 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.56 4.00 -4.84 0.99 4.77 -0.29 -4.99 117.00 116.08 1a9c n LEU 19 Ca -0.05 -2.26 -0.32 0.00 -0.03 0.00 0.00 56.01 53.35 1a9c n LEU 19 Cb 0.38 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1a9c n LEU 19 CO 0.06 0.83 0.67 -1.61 -1.33 0.00 0.00 177.39 176.02 1a9c s GLU 20 N -1.48 4.01 0.27 3.23 0.41 -1.25 -4.77 118.70 119.12 1a9c s GLU 20 Ca 0.43 0.99 -0.29 0.00 -0.41 0.00 0.00 54.97 55.68 1a9c s GLU 20 Cb 0.26 -2.14 -0.10 0.00 -1.78 0.00 0.00 34.13 30.36 1a9c s GLU 20 CO 0.24 -0.22 1.34 0.99 -0.49 0.00 0.00 175.26 177.11 1a9c s THR 21 N -2.53 2.86 -0.54 3.63 2.01 -1.26 -4.85 115.64 114.96 1a9c s THR 21 Ca 0.60 0.78 -0.28 0.00 0.31 0.00 0.00 61.69 63.09 1a9c s THR 21 Cb -0.10 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 68.81 1a9c s THR 21 CO 0.27 0.15 2.42 -2.65 -0.69 0.00 0.00 174.62 174.13 1a9c n PRO 22 N 1.71 0.94 -4.51 4.92 -0.02 -1.26 -4.93 135.00 131.85 1a9c n PRO 22 Ca 0.03 0.09 -0.21 0.00 -2.02 0.00 0.00 63.50 61.39 1a9c n PRO 22 Cb 0.42 -2.93 -0.14 0.00 -0.02 0.00 0.00 33.50 30.83 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 10.60 2.10 -0.10 2.45 1.43 -1.26 -5.13 118.68 128.77 1a9c s LEU 23 Ca 1.07 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 1a9c s LEU 23 Cb -0.49 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 1a9c s LEU 23 CO 0.34 0.11 0.04 -0.13 0.23 0.00 0.00 176.35 176.95 1a9c s ARG 24 N -0.75 3.15 0.53 1.70 0.52 -1.26 -5.08 118.95 117.76 1a9c s ARG 24 Ca 0.04 -0.33 -0.21 0.00 -0.52 0.00 0.00 55.73 54.71 1a9c s ARG 24 Cb -0.07 -2.92 -0.06 0.00 0.52 0.00 0.00 34.95 32.42 1a9c s ARG 24 CO 0.00 0.71 1.18 -0.35 0.02 0.00 0.00 175.30 176.86 1a9c n PRO 25 N 2.15 1.42 -1.52 3.54 -0.04 -1.26 -4.71 135.00 134.58 1a9c n PRO 25 Ca -0.19 0.53 -0.27 0.00 -0.04 0.00 0.00 63.50 63.52 1a9c n PRO 25 Cb 0.54 -2.35 -0.15 0.00 -0.04 0.00 0.00 33.50 31.50 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 -0.74 0.27 -0.23 0.54 -0.04 -1.26 -4.75 135.00 128.79 1a9c n PRO 26 Ca 0.11 -0.18 0.15 0.00 -0.04 0.00 0.00 63.50 63.54 1a9c n PRO 26 Cb 0.44 -2.05 0.28 0.00 -0.04 0.00 0.00 33.50 32.13 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 7.08 -0.29 -3.69 0.52 0.31 -1.26 -4.50 118.33 116.50 1a9c n VAL 27 Ca 0.59 1.47 -0.13 0.00 -0.01 0.00 0.00 64.34 66.25 1a9c n VAL 27 Cb 0.23 -2.23 -0.07 0.00 -0.91 0.00 0.00 33.84 30.86 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 -0.25 -1.09 3.52 3.76 -1.26 -5.07 115.29 109.52 1a9c s HIS 28 Ca -0.08 0.27 -0.24 0.00 -0.15 0.00 0.00 55.06 54.86 1a9c s HIS 28 Cb 0.21 0.19 -0.10 0.00 1.11 0.00 0.00 32.58 33.99 1a9c s HIS 28 CO 0.54 -0.52 1.99 -1.21 -0.85 0.00 0.00 174.74 174.69 1a9c s GLU 29 N -2.10 2.25 -0.10 1.40 2.02 -1.26 -4.91 118.70 115.99 1a9c s GLU 29 Ca -0.08 -0.79 -0.05 0.00 0.02 0.00 0.00 54.97 54.07 1a9c s GLU 29 Cb -0.02 -5.14 -0.04 0.00 0.10 0.00 0.00 34.13 29.03 1a9c s GLU 29 CO 0.00 -4.14 0.10 -1.64 0.02 0.00 0.00 175.26 169.61 1a9c s MET 30 N 7.02 3.31 0.46 1.61 -1.94 -1.26 -5.09 119.30 123.41 1a9c s MET 30 Ca 0.72 -0.22 -0.22 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 33.65 1a9c s MET 30 CO 0.11 0.75 1.05 -0.51 -0.01 0.00 0.00 175.02 176.41 1a9c s ASP 31 N -1.06 6.45 0.54 3.03 1.11 -1.26 -4.88 116.67 120.60 1a9c s ASP 31 Ca 0.15 1.99 0.20 0.00 0.18 0.00 0.00 52.55 55.07 1a9c s ASP 31 Cb -0.12 -2.57 1.41 0.00 1.07 0.00 0.00 42.92 42.72 1a9c s ASP 31 CO 0.05 -0.70 2.17 0.78 1.18 0.00 0.00 175.17 178.64 1a9c h ASN 32 N 1.87 0.00 -0.44 0.27 4.21 -1.99 -0.18 115.58 119.33 1a9c h ASN 32 Ca -0.49 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.01 1a9c h ASN 32 Cb 1.22 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.40 1a9c h ASN 32 CO 0.60 0.00 0.23 -0.33 -1.29 0.00 0.00 177.43 176.64 1a9c h GLU 33 N 0.00 0.61 -0.22 0.81 5.08 -1.99 0.16 114.58 119.04 1a9c h GLU 33 Ca 0.01 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 1a9c h GLU 33 Cb 0.04 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1a9c h GLU 33 CO -0.00 0.50 -0.57 1.79 -1.00 0.00 0.00 179.01 179.73 1a9c h THR 34 N 0.57 1.30 -0.28 1.13 1.35 -1.45 -1.89 112.91 113.64 1a9c h THR 34 Ca 0.15 -1.80 -0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1a9c h THR 34 Cb 0.07 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1a9c h THR 34 CO -0.02 0.57 0.17 0.03 -0.25 0.00 0.00 175.52 176.01 1a9c h ARG 35 N 0.53 0.38 -0.01 4.72 3.08 -0.88 -0.70 114.38 121.50 1a9c h ARG 35 Ca 0.01 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1a9c h ARG 35 Cb 1.15 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1a9c h ARG 35 CO 0.12 0.29 -0.04 0.87 -1.07 0.00 0.00 179.97 180.14 1a9c h LYS 36 N 0.35 -0.06 -0.91 0.04 1.57 -0.61 0.66 116.57 117.61 1a9c h LYS 36 Ca 0.10 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1a9c h LYS 36 Cb 0.01 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1a9c h LYS 36 CO -0.02 -0.04 0.58 0.66 -0.57 0.00 0.00 179.45 180.06 1a9c h SER 37 N -0.06 0.94 -0.41 0.86 4.64 -1.14 0.23 113.55 118.59 1a9c h SER 37 Ca 0.02 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1a9c h SER 37 Cb 0.09 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1a9c h SER 37 CO -0.05 0.62 0.11 -0.07 -0.87 0.00 0.00 176.83 176.57 1a9c h LEU 38 N 1.08 0.62 -0.21 5.97 3.38 -0.56 0.25 115.31 125.85 1a9c h LEU 38 Ca 0.38 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1a9c h LEU 38 Cb 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1a9c h LEU 38 CO -0.15 0.69 0.13 0.40 0.09 0.00 0.00 178.44 179.59 1a9c h ILE 39 N 0.53 1.08 -0.98 1.22 2.04 -0.21 -1.82 117.51 119.37 1a9c h ILE 39 Ca 0.13 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.87 1a9c h ILE 39 Cb 0.30 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 1a9c h ILE 39 CO 0.00 0.08 0.63 0.00 0.00 0.00 0.00 178.15 178.85 1a9c h ALA 40 N 1.04 1.38 0.03 1.87 0.00 -0.35 0.00 119.26 123.24 1a9c h ALA 40 Ca 0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1a9c h ALA 40 Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1a9c h ALA 40 CO -0.01 0.37 -0.09 0.78 0.00 0.00 0.00 179.25 180.30 1a9c h GLY 41 N 1.11 -0.14 1.12 0.00 0.00 -0.23 0.29 103.07 105.22 1a9c h GLY 41 Ca 0.44 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.87 1a9c h GLY 41 CO -0.19 -0.10 0.51 0.45 0.00 0.00 0.00 176.54 177.21 1a9c h HIS 42 N -0.18 1.14 -0.65 5.60 -0.00 -0.58 -1.92 115.15 118.56 1a9c h HIS 42 Ca 0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 1a9c h HIS 42 Cb 0.21 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 1a9c h HIS 42 CO -0.14 0.76 0.31 0.52 -0.00 0.00 0.00 177.93 179.38 1a9c h MET 43 N 1.19 0.93 -0.44 2.45 2.86 -0.44 -0.30 114.93 121.19 1a9c h MET 43 Ca 0.31 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.88 1a9c h MET 43 Cb -0.04 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.40 1a9c h MET 43 CO -0.06 0.74 0.09 1.15 1.06 0.00 0.00 176.91 179.89 1a9c h THR 44 N 0.89 0.77 0.23 2.22 2.02 -0.23 0.18 112.91 118.98 1a9c h THR 44 Ca 0.22 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1a9c h THR 44 Cb 0.12 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1a9c h THR 44 CO -0.03 0.04 -0.20 -0.33 0.37 0.00 0.00 175.52 175.37 1a9c h GLU 45 N 0.22 -0.43 -0.42 6.66 4.39 -0.80 -0.59 114.58 123.61 1a9c h GLU 45 Ca 0.21 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.00 1a9c h GLU 45 Cb 0.27 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 1a9c h GLU 45 CO -0.28 -0.29 0.11 0.82 -1.16 0.00 0.00 179.01 178.21 1a9c h ILE 46 N -0.44 0.81 -0.89 3.13 2.04 -0.27 0.38 117.51 122.26 1a9c h ILE 46 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1a9c h ILE 46 Cb 0.40 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1a9c h ILE 46 CO -0.03 0.04 0.56 0.24 0.00 0.00 0.00 178.15 178.97 1a9c h MET 47 N 0.25 1.19 -0.41 2.37 2.86 -0.44 -1.14 114.93 119.60 1a9c h MET 47 Ca 0.20 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 1a9c h MET 47 Cb 0.23 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1a9c h MET 47 CO -0.24 0.81 -0.13 1.96 1.06 0.00 0.00 176.91 180.37 1a9c h GLN 48 N 1.22 0.75 0.00 1.72 4.20 -0.11 -1.66 115.11 121.23 1a9c h GLN 48 Ca 0.32 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1a9c h GLN 48 Cb -0.10 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 1a9c h GLN 48 CO -0.07 0.85 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.75 1a9c h LEU 49 N 0.68 0.00 -0.65 1.46 3.38 0.22 -0.40 115.31 119.99 1a9c h LEU 49 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1a9c h LEU 49 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1a9c h LEU 49 CO 0.04 0.12 -0.03 0.18 0.09 0.00 0.00 178.44 178.84 1a9c n LEU 50 N -3.52 1.04 -0.84 1.67 4.77 -0.67 -4.91 117.00 114.55 1a9c n LEU 50 Ca -0.01 -0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 55.56 1a9c n LEU 50 Cb 0.26 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1a9c n LEU 50 CO 0.30 0.18 -0.10 0.59 -1.33 0.00 0.00 177.39 177.03 1a9c n ASN 51 N -0.25 -3.40 -4.74 -1.43 3.02 -0.16 -5.01 115.26 103.30 1a9c n ASN 51 Ca 0.19 0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.41 1a9c n ASN 51 Cb 0.29 -2.27 -0.05 0.00 -0.61 0.00 0.00 39.78 37.14 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 -2.22 4.55 -1.13 3.41 1.43 -0.69 -4.95 118.68 119.08 1a9c s LEU 52 Ca 0.00 1.93 -0.21 0.00 -1.03 0.00 0.00 54.13 54.82 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 -0.02 1.60 -0.62 0.23 0.00 0.00 176.35 177.54 1a9c s ASP 53 N -0.49 6.53 0.00 2.29 2.15 -1.26 -4.59 116.67 121.30 1a9c s ASP 53 Ca 0.45 -1.80 0.00 0.00 0.43 0.00 0.00 52.55 51.63 1a9c s ASP 53 Cb -0.26 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 1a9c s ASP 53 CO 0.32 -1.48 0.85 0.18 -0.17 0.00 0.00 175.17 174.87 1a9c n LEU 54 N 9.09 0.00 0.01 -1.34 4.77 -1.26 -1.08 117.00 127.18 1a9c n LEU 54 Ca 0.40 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.87 1a9c n LEU 54 Cb 0.49 -0.36 0.47 0.00 -2.33 0.00 0.00 43.42 41.69 1a9c n LEU 54 CO 0.70 -0.36 0.77 0.00 -1.33 0.00 0.00 177.39 177.17 1a9c n ALA 55 N -1.35 2.74 -2.07 -1.18 0.00 -1.26 -3.28 120.51 114.09 1a9c n ALA 55 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1a9c n ALA 55 Cb 0.00 -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 -3.18 6.73 0.33 0.00 2.15 -0.24 -4.85 116.67 117.60 1a9c s ASP 56 Ca 0.12 2.44 0.10 0.00 0.43 0.00 0.00 52.55 55.64 1a9c s ASP 56 Cb 0.18 -2.59 1.00 0.00 -0.30 0.00 0.00 42.92 41.21 1a9c s ASP 56 CO 0.60 -0.73 1.58 -2.24 -0.17 0.00 0.00 175.17 174.21 1a9c h ASP 57 N 6.87 -0.10 0.19 -0.34 2.03 -1.89 0.57 116.42 123.75 1a9c h ASP 57 Ca -0.42 0.26 -0.01 0.00 -0.73 0.00 0.00 57.03 56.13 1a9c h ASP 57 Cb 1.21 0.38 0.00 0.00 -0.83 0.00 0.00 39.33 40.08 1a9c h ASP 57 CO 0.89 -0.37 -0.09 -1.28 -1.03 0.00 0.00 179.24 177.36 1a9c h SER 58 N 0.03 -0.22 -0.93 4.15 0.87 -1.95 -3.35 113.55 112.15 1a9c h SER 58 Ca 0.70 0.01 0.23 0.00 -1.23 0.00 0.00 61.79 61.50 1a9c h SER 58 Cb 1.64 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 63.59 1a9c h SER 58 CO -0.84 0.02 0.62 -0.07 -0.53 0.00 0.00 176.83 176.04 1a9c h LEU 59 N -0.62 0.33 -0.95 2.23 3.38 -1.75 -3.05 115.31 114.88 1a9c h LEU 59 Ca -0.03 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.28 1a9c h LEU 59 Cb 0.20 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 40.77 1a9c h LEU 59 CO 0.04 0.11 0.29 -0.03 0.09 0.00 0.00 178.44 178.95 1a9c h MET 60 N 0.32 0.13 -0.21 1.13 4.05 -0.89 -1.52 114.93 117.94 1a9c h MET 60 Ca 0.48 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.90 1a9c h MET 60 Cb 1.36 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 1a9c h MET 60 CO -0.16 0.08 0.00 0.39 0.23 0.00 0.00 176.91 177.45 1a9c n GLU 61 N -5.28 2.25 -0.17 0.39 1.02 -1.15 -4.53 120.64 113.18 1a9c n GLU 61 Ca 0.27 -1.85 -0.05 0.00 -0.02 0.00 0.00 57.16 55.50 1a9c n GLU 61 Cb 0.87 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.86 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 3.98 1.00 -0.85 2.62 2.02 -1.43 -1.10 112.91 119.14 1a9c h THR 62 Ca 0.00 -0.19 0.09 0.00 0.77 0.00 0.00 66.41 67.09 1a9c h THR 62 Cb 0.86 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 1a9c h THR 62 CO 0.00 0.10 0.55 -0.65 0.37 0.00 0.00 175.52 175.89 1a9c h PRO 63 N 0.54 0.82 0.05 6.66 0.11 -1.79 0.19 132.00 138.57 1a9c h PRO 63 Ca 0.21 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1a9c h PRO 63 Cb 0.08 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1a9c h PRO 63 CO -0.13 0.54 -0.02 0.45 -0.21 0.00 0.00 178.00 178.63 1a9c h HIS 64 N 0.84 -0.06 -0.76 0.65 3.86 -1.71 -1.41 115.15 116.55 1a9c h HIS 64 Ca 0.39 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.66 1a9c h HIS 64 Cb 0.40 0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 1a9c h HIS 64 CO -0.00 0.27 0.45 0.00 0.86 0.00 0.00 177.93 179.51 1a9c h ARG 65 N -0.40 0.80 -0.23 2.45 3.08 -0.21 -0.94 114.38 118.94 1a9c h ARG 65 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1a9c h ARG 65 Cb 0.36 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1a9c h ARG 65 CO 0.01 0.53 0.02 0.82 -1.07 0.00 0.00 179.97 180.28 1a9c h ILE 66 N 0.82 1.24 -0.02 2.04 2.04 -0.62 0.05 117.51 123.06 1a9c h ILE 66 Ca 0.34 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1a9c h ILE 66 Cb 0.19 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1a9c h ILE 66 CO -0.18 0.25 -0.12 0.00 0.00 0.00 0.00 178.15 178.10 1a9c h ALA 67 N 0.83 -0.12 -0.50 1.87 0.00 -0.74 0.37 119.26 120.97 1a9c h ALA 67 Ca 0.07 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1a9c h ALA 67 Cb 0.35 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1a9c h ALA 67 CO 0.01 -0.61 0.25 -0.22 0.00 0.00 0.00 179.25 178.69 1a9c h LYS 68 N -0.19 0.48 0.14 0.00 3.64 -1.14 -1.26 116.57 118.24 1a9c h LYS 68 Ca 0.05 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1a9c h LYS 68 Cb 0.26 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1a9c h LYS 68 CO -0.13 0.32 -0.18 1.98 -2.27 0.00 0.00 179.45 179.17 1a9c h MET 69 N 0.50 -0.36 0.39 1.90 4.05 -0.42 0.26 114.93 121.25 1a9c h MET 69 Ca 0.22 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.66 1a9c h MET 69 Cb 0.12 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 1a9c h MET 69 CO -0.15 -0.24 -0.36 1.88 0.23 0.00 0.00 176.91 178.27 1a9c h TYR 70 N -0.37 -0.98 0.17 1.39 -1.99 -0.65 0.41 116.97 114.95 1a9c h TYR 70 Ca 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1a9c h TYR 70 Cb 0.37 0.38 0.00 0.00 2.00 0.00 0.00 36.73 39.47 1a9c h TYR 70 CO -0.16 -0.51 -0.08 0.28 -0.00 0.00 0.00 178.16 177.68 1a9c h VAL 71 N -0.77 0.95 0.11 -2.88 2.07 -1.18 -2.20 116.25 112.36 1a9c h VAL 71 Ca -0.03 -0.75 -0.32 0.00 0.82 0.00 0.00 66.70 66.42 1a9c h VAL 71 Cb 0.68 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1a9c h VAL 71 CO -0.05 0.17 -1.68 0.44 0.02 0.00 0.00 177.57 176.48 1a9c h ASP 72 N -0.61 0.38 0.00 0.57 3.32 -0.59 -3.35 116.42 116.15 1a9c h ASP 72 Ca -0.02 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1a9c h ASP 72 Cb 0.45 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1a9c h ASP 72 CO 0.04 1.52 0.00 -0.62 -1.72 0.00 0.00 179.24 178.46 1a9c n GLU 73 N -3.43 0.00 0.22 3.56 1.02 0.00 -4.49 120.64 117.52 1a9c n GLU 73 Ca -0.21 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.09 1a9c n GLU 73 Cb 1.05 0.00 0.63 0.00 -0.02 0.00 0.00 31.44 33.10 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 0.10 -0.07 -3.67 3.07 -1.39 -1.13 117.51 114.42 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 0.50 0.00 0.00 -0.27 0.00 0.00 36.82 37.05 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 -3.07 0.12 0.29 0.16 3.72 -0.83 -2.71 117.46 115.14 1a9c n PHE 75 Ca 0.03 -0.58 0.18 0.00 -0.05 0.00 0.00 57.45 57.03 1a9c n PHE 75 Cb 0.64 -0.07 0.97 0.00 -0.94 0.00 0.00 39.48 40.09 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 0.44 0.00 0.30 4.37 4.64 -1.19 -1.21 113.55 120.89 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 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1a9c h SER 76 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1a9c n GLY 77 N -1.25 -1.00 0.20 -0.77 0.00 0.17 -1.86 105.19 100.67 1a9c n GLY 77 Ca -0.01 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.28 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 -8.36 0.99 3.38 -1.33 -3.41 115.31 106.58 1a9c h LEU 78 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1a9c h LEU 78 Cb 0.15 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.64 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 -5.13 5.42 0.00 -0.43 -1.08 -0.78 -4.95 116.67 109.73 1a9c s ASP 79 Ca 0.04 -0.87 0.08 0.00 -0.52 0.00 0.00 52.55 51.28 1a9c s ASP 79 Cb 0.09 -1.94 0.45 0.00 -1.46 0.00 0.00 42.92 40.05 1a9c s ASP 79 CO 0.51 -0.28 0.99 -1.22 0.52 0.00 0.00 175.17 175.69 1a9c n TYR 80 N 4.91 0.00 0.32 -5.34 4.02 -1.26 -0.53 117.16 119.28 1a9c n TYR 80 Ca -0.13 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.90 1a9c n TYR 80 Cb 0.47 -0.10 0.44 0.00 -0.02 0.00 0.00 39.34 40.13 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 2.45 1.00 -0.29 -0.72 0.00 -1.92 -2.62 119.26 117.16 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 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 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 2.51 -4.77 0.00 3.02 0.31 -4.95 115.26 108.52 1a9c n ASN 82 Ca 0.03 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.30 1a9c n ASN 82 Cb 0.39 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.63 2.78 0.84 3.10 5.36 -0.99 -4.96 117.98 122.48 1a9c s PHE 83 Ca 0.35 1.12 -0.11 0.00 -0.96 0.00 0.00 56.93 57.33 1a9c s PHE 83 Cb 0.20 -3.93 0.10 0.00 -0.34 0.00 0.00 43.02 39.05 1a9c s PHE 83 CO 0.28 -2.83 1.13 -1.25 -1.46 0.00 0.00 175.22 171.09 1a9c s PRO 84 N -1.44 1.63 -0.18 10.12 0.04 -1.26 -4.97 135.00 138.94 1a9c s PRO 84 Ca 0.55 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.74 1a9c s PRO 84 Cb -0.45 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1a9c s PRO 84 CO 0.55 -2.15 0.90 0.15 0.04 0.00 0.00 177.00 176.49 1a9c s LYS 85 N -4.68 4.30 -0.09 4.56 1.02 -1.26 -4.91 119.74 118.67 1a9c s LYS 85 Ca 0.65 1.14 -0.13 0.00 0.02 0.00 0.00 55.97 57.65 1a9c s LYS 85 Cb -0.21 -3.59 -0.05 0.00 -0.52 0.00 0.00 37.83 33.46 1a9c s LYS 85 CO 0.56 -0.41 0.31 0.42 -0.92 0.00 0.00 175.35 175.30 1a9c s ILE 86 N 2.42 5.25 -0.06 2.17 1.09 -1.26 -4.96 121.20 125.85 1a9c s ILE 86 Ca 0.41 0.59 0.03 0.00 -1.10 0.00 0.00 60.65 60.58 1a9c s ILE 86 Cb -0.16 -3.62 0.01 0.00 -1.06 0.00 0.00 42.46 37.63 1a9c s ILE 86 CO 0.11 0.50 -0.15 0.42 -0.10 0.00 0.00 174.94 175.73 1a9c s THR 87 N -0.40 1.29 0.00 2.92 -4.23 -1.26 -5.10 115.64 108.87 1a9c s THR 87 Ca 0.19 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 60.17 1a9c s THR 87 Cb -0.14 -1.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.53 1a9c s THR 87 CO 0.07 0.39 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.60 1a9c s LEU 88 N 0.44 2.07 -0.02 4.79 1.43 -1.26 -1.87 118.68 124.25 1a9c s LEU 88 Ca -0.12 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1a9c s LEU 88 Cb -0.15 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1a9c s LEU 88 CO 0.04 0.20 -0.08 0.27 0.23 0.00 0.00 176.35 177.01 1a9c s ILE 89 N -0.53 3.59 0.25 -0.59 -4.36 0.53 -4.94 121.20 115.15 1a9c s ILE 89 Ca 0.07 -0.70 -0.31 0.00 -0.26 0.00 0.00 60.65 59.45 1a9c s ILE 89 Cb -0.07 -2.52 -0.12 0.00 1.25 0.00 0.00 42.46 41.00 1a9c s ILE 89 CO -0.00 0.46 1.66 -0.70 0.24 0.00 0.00 174.94 176.60 1a9c s GLU 90 N -1.20 4.12 -1.10 0.37 2.12 -1.26 -0.49 118.70 121.26 1a9c s GLU 90 Ca 0.15 2.60 -0.15 0.00 0.36 0.00 0.00 54.97 57.93 1a9c s GLU 90 Cb -0.11 -3.05 -0.07 0.00 0.26 0.00 0.00 34.13 31.16 1a9c s GLU 90 CO 0.05 -0.69 2.17 -1.71 -0.54 0.00 0.00 175.26 174.53 1a9c n ASN 91 N 3.03 4.05 0.09 -1.70 5.15 -0.48 -4.54 115.26 120.86 1a9c n ASN 91 Ca 0.12 -2.65 -0.05 0.00 -0.60 0.00 0.00 54.58 51.40 1a9c n ASN 91 Cb 0.36 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 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 6.72 0.01 0.00 1.20 1.57 -1.88 -3.05 116.57 121.13 1a9c h LYS 92 Ca 0.53 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1a9c h LYS 92 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1a9c h LYS 92 CO 1.83 0.85 0.00 -1.33 -0.57 0.00 0.00 179.45 180.22 1a9c n MET 93 N -3.55 0.03 -3.78 3.15 2.81 -1.26 -4.84 117.12 109.68 1a9c n MET 93 Ca -0.01 0.35 -0.25 0.00 -1.81 0.00 0.00 57.70 55.98 1a9c n MET 93 Cb 0.80 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.85 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 -1.42 -5.30 -2.26 0.03 5.02 -1.15 -4.90 118.16 108.17 1a9c n LYS 94 Ca 0.02 0.62 -0.42 0.00 -2.02 0.00 0.00 58.31 56.51 1a9c n LYS 94 Cb 0.05 -5.33 -0.03 0.00 -0.02 0.00 0.00 35.03 29.70 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 -3.51 3.75 -0.03 -0.18 1.01 -1.26 -4.87 120.40 115.31 1a9c s VAL 95 Ca 0.29 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.47 1a9c s VAL 95 Cb -0.14 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.55 1a9c s VAL 95 CO 0.82 0.02 0.93 -0.90 0.00 0.00 0.00 175.10 175.97 1a9c n ASP 96 N 5.00 1.51 -4.45 3.32 5.68 -1.26 -4.51 116.55 121.84 1a9c n ASP 96 Ca 0.12 -2.04 -0.26 0.00 -0.50 0.00 0.00 54.79 52.11 1a9c n ASP 96 Cb 0.44 -0.11 -0.11 0.00 -1.14 0.00 0.00 41.12 40.20 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 -1.13 1.63 0.53 0.11 0.41 -1.26 -4.93 118.70 114.06 1a9c s GLU 97 Ca 0.07 -1.53 -0.21 0.00 -0.41 0.00 0.00 54.97 52.89 1a9c s GLU 97 Cb 0.06 -1.88 -0.05 0.00 -1.78 0.00 0.00 34.13 30.48 1a9c s GLU 97 CO 0.01 0.39 1.23 0.00 -0.49 0.00 0.00 175.26 176.40 1a9c s MET 98 N -2.83 3.33 -0.15 1.61 0.23 -1.26 -4.36 119.30 115.86 1a9c s MET 98 Ca 0.23 1.91 -0.03 0.00 -1.03 0.00 0.00 55.69 56.77 1a9c s MET 98 Cb -0.08 -2.20 -0.02 0.00 -1.53 0.00 0.00 34.83 31.00 1a9c s MET 98 CO 0.11 -0.94 -0.07 0.08 -2.03 0.00 0.00 175.02 172.17 1a9c s VAL 99 N -1.50 3.55 -0.12 5.16 1.01 0.04 -4.93 120.40 123.61 1a9c s VAL 99 Ca 0.70 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1a9c s VAL 99 Cb -0.32 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1a9c s VAL 99 CO 0.37 0.50 -0.22 -0.89 0.00 0.00 0.00 175.10 174.85 1a9c s THR 100 N 0.48 2.03 -0.27 3.92 2.01 -1.26 -1.65 115.64 120.91 1a9c s THR 100 Ca -0.05 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 1a9c s THR 100 Cb -0.15 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.59 1a9c s THR 100 CO 0.03 0.55 0.03 -0.69 -0.69 0.00 0.00 174.62 173.85 1a9c s VAL 101 N 0.64 3.69 0.21 3.82 1.01 0.11 -4.99 120.40 124.88 1a9c s VAL 101 Ca -0.12 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1a9c s VAL 101 Cb -0.16 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1a9c s VAL 101 CO 0.02 0.17 -0.07 0.00 0.00 0.00 0.00 175.10 175.22 1a9c s ARG 102 N 1.47 2.11 -1.35 2.72 1.70 -1.26 -0.88 118.95 123.45 1a9c s ARG 102 Ca 0.03 -1.34 -0.07 0.00 -0.47 0.00 0.00 55.73 53.88 1a9c s ARG 102 Cb -0.16 -2.14 0.02 0.00 -0.57 0.00 0.00 34.95 32.09 1a9c s ARG 102 CO 0.00 0.41 1.09 -0.25 -1.08 0.00 0.00 175.30 175.47 1a9c n ASP 103 N -0.26 -4.93 -4.66 -2.89 8.00 -1.11 -4.95 116.55 105.75 1a9c n ASP 103 Ca -0.09 -0.61 -0.43 0.00 0.71 0.00 0.00 54.79 54.37 1a9c n ASP 103 Cb 0.57 -4.81 -0.02 0.00 -0.02 0.00 0.00 41.12 36.83 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 -3.35 3.97 0.19 0.53 1.01 0.50 -4.80 121.20 119.25 1a9c s ILE 104 Ca 0.45 1.18 -0.33 0.00 0.00 0.00 0.00 60.65 61.95 1a9c s ILE 104 Cb -0.20 -3.76 -0.13 0.00 0.01 0.00 0.00 42.46 38.37 1a9c s ILE 104 CO 0.75 -0.10 1.64 0.41 0.00 0.00 0.00 174.94 177.65 1a9c n THR 105 N 5.36 0.07 -3.69 2.92 -1.04 -1.26 -0.98 114.28 115.66 1a9c n THR 105 Ca 0.15 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.05 61.93 1a9c n THR 105 Cb 0.44 -1.77 -0.18 0.00 -1.82 0.00 0.00 70.33 67.00 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 0.95 0.29 -0.13 -4.42 0.20 -0.53 -4.79 118.68 110.26 1a9c s LEU 106 Ca 0.76 -0.07 0.01 0.00 0.69 0.00 0.00 54.13 55.52 1a9c s LEU 106 Cb -0.59 -0.23 0.02 0.00 -0.43 0.00 0.00 46.19 44.96 1a9c s LEU 106 CO 0.36 -0.25 -0.14 0.42 -0.29 0.00 0.00 176.35 176.45 1a9c s THR 107 N 2.11 1.48 0.19 3.68 -4.23 -1.26 -0.49 115.64 117.12 1a9c s THR 107 Ca 0.04 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.98 1a9c s THR 107 Cb -0.13 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.33 1a9c s THR 107 CO -0.04 0.44 0.09 -0.24 -0.54 0.00 0.00 174.62 174.33 1a9c n SER 108 N 4.54 0.69 -3.99 3.99 2.88 0.14 -4.46 113.62 117.40 1a9c n SER 108 Ca -0.17 -2.07 -0.22 0.00 -1.33 0.00 0.00 58.87 55.07 1a9c n SER 108 Cb 0.51 0.60 -0.16 0.00 -0.75 0.00 0.00 64.21 64.40 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 -2.40 0.90 0.09 2.46 2.01 -1.25 -1.06 115.64 116.40 1a9c s THR 109 Ca 0.13 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 1a9c s THR 109 Cb 0.01 -0.83 -0.06 0.00 0.01 0.00 0.00 72.50 71.62 1a9c s THR 109 CO 0.09 0.29 1.16 -0.94 -0.69 0.00 0.00 174.62 174.54 1a9c s SER 110 N 0.53 7.13 0.40 3.53 1.04 0.20 0.17 113.70 126.71 1a9c s SER 110 Ca -0.10 2.02 0.29 0.00 0.48 0.00 0.00 55.95 58.64 1a9c s SER 110 Cb -0.13 -2.58 1.13 0.00 0.10 0.00 0.00 66.02 64.53 1a9c s SER 110 CO 0.02 -0.40 1.84 1.05 0.98 0.00 0.00 173.24 176.73 1a9c h GLU 111 N 6.37 0.00 0.00 4.02 4.11 -1.23 0.35 114.58 128.21 1a9c h GLU 111 Ca -0.42 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.82 1a9c h GLU 111 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1a9c h GLU 111 CO 0.79 0.00 -0.89 0.45 0.07 0.00 0.00 179.01 179.43 1a9c h HIS 112 N 0.00 0.01 0.00 2.06 3.86 -1.91 -3.39 115.15 115.78 1a9c h HIS 112 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1a9c h HIS 112 Cb 0.48 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1a9c h HIS 112 CO 0.00 0.89 0.00 0.72 0.86 0.00 0.00 177.93 180.40 1a9c n HIS 113 N -3.49 0.00 -3.74 2.45 8.25 -1.20 -5.03 115.22 112.45 1a9c n HIS 113 Ca -0.00 -0.01 -0.25 0.00 -0.26 0.00 0.00 57.72 57.20 1a9c n HIS 113 Cb 0.84 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.99 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 -2.24 -4.44 4.41 3.01 0.12 -4.99 117.46 113.34 1a9c n PHE 114 Ca 0.00 0.90 -0.29 0.00 1.01 0.00 0.00 57.45 59.07 1a9c n PHE 114 Cb 0.25 -4.40 -0.13 0.00 -0.01 0.00 0.00 39.48 35.20 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 -3.45 2.33 0.27 -4.37 1.01 -1.23 -4.84 120.40 110.11 1a9c s VAL 115 Ca 0.34 -1.68 -0.29 0.00 0.00 0.00 0.00 61.98 60.35 1a9c s VAL 115 Cb -0.17 -2.02 -0.14 0.00 0.00 0.00 0.00 36.38 34.05 1a9c s VAL 115 CO 0.80 0.12 1.04 0.41 0.00 0.00 0.00 175.10 177.47 1a9c n THR 116 N 1.00 1.78 -3.93 3.92 -1.04 -1.26 -0.63 114.28 114.11 1a9c n THR 116 Ca -0.18 -0.44 -0.29 0.00 -2.04 0.00 0.00 64.05 61.10 1a9c n THR 116 Cb 0.53 -0.97 -0.16 0.00 -1.82 0.00 0.00 70.33 67.91 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 -0.88 1.29 -0.16 12.58 1.01 -0.22 -1.03 121.20 133.79 1a9c s ILE 117 Ca 0.61 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1a9c s ILE 117 Cb -0.73 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1a9c s ILE 117 CO 0.58 0.22 -0.18 -0.62 0.00 0.00 0.00 174.94 174.94 1a9c s ASP 118 N 1.57 3.43 0.00 3.58 2.15 -0.34 -0.69 116.67 126.37 1a9c s ASP 118 Ca 0.01 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.46 1a9c s ASP 118 Cb -0.15 -1.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.95 1a9c s ASP 118 CO -0.08 0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 1a9c n GLY 119 N 4.17 2.49 2.95 2.66 0.00 0.36 -0.52 105.19 117.30 1a9c n GLY 119 Ca -0.20 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.27 0.10 0.10 1.61 1.02 0.06 -1.45 119.74 119.91 1a9c s LYS 120 Ca 0.00 0.18 0.06 0.00 0.02 0.00 0.00 55.97 56.23 1a9c s LYS 120 Cb 0.00 -0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 1a9c s LYS 120 CO 0.00 -0.05 -0.03 0.00 -0.92 0.00 0.00 175.35 174.35 1a9c s ALA 121 N 0.34 3.20 -0.14 5.17 0.00 -0.15 -1.59 121.76 128.58 1a9c s ALA 121 Ca -0.02 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 50.76 1a9c s ALA 121 Cb -0.04 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 22.02 1a9c s ALA 121 CO -0.01 0.66 -0.10 0.99 0.00 0.00 0.00 175.76 177.30 1a9c s THR 122 N -1.33 1.29 -0.02 0.00 2.01 0.08 -0.37 115.64 117.30 1a9c s THR 122 Ca 0.25 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.82 1a9c s THR 122 Cb -0.11 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1a9c s THR 122 CO 0.17 0.37 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.52 1a9c s VAL 123 N 1.59 2.03 -0.03 3.82 1.01 -0.06 -1.33 120.40 127.43 1a9c s VAL 123 Ca 0.04 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1a9c s VAL 123 Cb -0.13 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1a9c s VAL 123 CO -0.09 0.57 0.21 0.00 0.00 0.00 0.00 175.10 175.79 1a9c s ALA 124 N -0.58 -0.52 0.09 5.51 0.00 -0.74 0.04 121.76 125.56 1a9c s ALA 124 Ca 0.09 0.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.12 1a9c s ALA 124 Cb -0.10 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.00 1a9c s ALA 124 CO -0.01 -0.19 0.43 1.52 0.00 0.00 0.00 175.76 177.51 1a9c s TYR 125 N -0.87 -0.26 -0.31 0.00 1.13 -0.66 -1.09 117.35 115.29 1a9c s TYR 125 Ca -0.10 0.08 -0.08 0.00 -1.41 0.00 0.00 57.07 55.56 1a9c s TYR 125 Cb -0.05 0.27 0.01 0.00 -1.10 0.00 0.00 41.96 41.09 1a9c s TYR 125 CO 0.02 -0.66 0.11 0.42 -2.51 0.00 0.00 175.55 172.93 1a9c s ILE 126 N -3.24 4.15 0.19 -3.49 1.01 -0.93 -0.78 121.20 118.11 1a9c s ILE 126 Ca -0.01 -0.70 -0.33 0.00 0.00 0.00 0.00 60.65 59.62 1a9c s ILE 126 Cb 0.01 -3.17 -0.14 0.00 0.01 0.00 0.00 42.46 39.16 1a9c s ILE 126 CO -0.08 0.02 1.51 -2.65 0.00 0.00 0.00 174.94 173.74 1a9c n PRO 127 N 4.90 2.10 0.00 2.79 -0.02 -1.26 -4.85 135.00 138.66 1a9c n PRO 127 Ca -0.14 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1a9c n PRO 127 Cb 0.48 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 2.89 0.00 0.03 -0.52 4.81 -1.26 -4.70 118.16 119.41 1a9c n LYS 128 Ca 0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.54 1a9c n LYS 128 Cb 0.30 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.24 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 -4.77 3.14 3.32 -1.89 -3.45 116.42 112.77 1a9c h ASP 129 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1a9c h ASP 129 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1a9c h ASP 129 CO 0.00 0.86 -0.68 -0.94 -1.72 0.00 0.00 179.24 176.76 1a9c s SER 130 N -6.22 0.97 -0.14 6.45 1.04 -1.26 -1.38 113.70 113.16 1a9c s SER 130 Ca -0.02 -1.09 -0.00 0.00 0.48 0.00 0.00 55.95 55.32 1a9c s SER 130 Cb 0.09 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 1a9c s SER 130 CO 0.81 -0.55 -0.13 -0.69 0.98 0.00 0.00 173.24 173.66 1a9c s VAL 131 N -3.73 2.97 0.33 5.02 1.01 0.36 -4.75 120.40 121.61 1a9c s VAL 131 Ca 0.17 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 1a9c s VAL 131 Cb 0.06 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 1a9c s VAL 131 CO -0.02 0.52 0.73 -0.51 0.00 0.00 0.00 175.10 175.82 1a9c s ILE 132 N 0.50 4.70 0.08 2.22 2.07 -1.26 -0.35 121.20 129.17 1a9c s ILE 132 Ca -0.09 0.89 -0.31 0.00 -1.41 0.00 0.00 60.65 59.73 1a9c s ILE 132 Cb -0.16 -3.62 -0.08 0.00 0.13 0.00 0.00 42.46 38.73 1a9c s ILE 132 CO 0.04 -0.21 1.54 -0.83 -1.91 0.00 0.00 174.94 173.57 1a9c s GLY 133 N -2.36 1.68 0.23 1.50 0.00 -0.78 -4.90 107.32 102.69 1a9c s GLY 133 Ca 0.54 1.17 -0.16 0.00 0.00 0.00 0.00 44.72 46.26 1a9c s GLY 133 CO 0.19 2.67 1.56 1.41 0.00 0.00 0.00 173.10 178.93 1a9c h LEU 134 N 7.84 -1.25 -2.01 0.66 3.38 -1.94 0.73 115.31 122.71 1a9c h LEU 134 Ca -0.42 0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1a9c h LEU 134 Cb 1.20 0.68 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 1a9c h LEU 134 CO 0.91 -0.30 0.13 0.77 0.09 0.00 0.00 178.44 180.04 1a9c h SER 135 N -0.03 0.00 -0.72 -0.43 4.64 -2.00 -2.19 113.55 112.82 1a9c h SER 135 Ca 0.35 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.71 1a9c h SER 135 Cb 0.61 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 1a9c h SER 135 CO -0.92 0.00 0.47 0.11 -0.87 0.00 0.00 176.83 175.62 1a9c h LYS 136 N 0.00 0.83 -0.56 4.77 1.79 -1.22 0.23 116.57 122.41 1a9c h LYS 136 Ca 0.08 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1a9c h LYS 136 Cb 0.34 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1a9c h LYS 136 CO -0.00 0.55 0.26 0.82 -1.08 0.00 0.00 179.45 180.00 1a9c h ILE 137 N 0.86 1.21 -0.11 1.86 2.04 -1.45 0.17 117.51 122.08 1a9c h ILE 137 Ca 0.29 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1a9c h ILE 137 Cb 0.08 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1a9c h ILE 137 CO -0.08 0.24 0.06 0.78 0.00 0.00 0.00 178.15 179.14 1a9c h ASN 138 N 0.76 0.14 -0.48 1.72 2.35 -1.25 -1.77 115.58 117.04 1a9c h ASN 138 Ca 0.19 -0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1a9c h ASN 138 Cb 0.14 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 1a9c h ASN 138 CO -0.02 0.20 0.22 0.03 -1.65 0.00 0.00 177.43 176.22 1a9c h ARG 139 N 0.07 0.43 -0.74 0.81 3.08 -0.51 -1.04 114.38 116.47 1a9c h ARG 139 Ca 0.04 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1a9c h ARG 139 Cb 0.10 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1a9c h ARG 139 CO -0.01 0.28 0.35 0.82 -1.07 0.00 0.00 179.97 180.34 1a9c h ILE 140 N 0.44 1.24 0.38 2.04 2.04 -0.48 0.35 117.51 123.52 1a9c h ILE 140 Ca 0.22 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1a9c h ILE 140 Cb 0.15 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1a9c h ILE 140 CO -0.17 0.29 -0.19 0.58 0.00 0.00 0.00 178.15 178.66 1a9c h VAL 141 N 1.04 0.62 -0.74 1.67 2.07 -0.77 -2.35 116.25 117.80 1a9c h VAL 141 Ca 0.25 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.83 1a9c h VAL 141 Cb 0.13 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1a9c h VAL 141 CO -0.03 0.00 0.49 -0.61 0.02 0.00 0.00 177.57 177.44 1a9c h GLN 142 N -0.51 0.80 0.53 1.57 4.15 -0.95 -0.06 115.11 120.64 1a9c h GLN 142 Ca -0.05 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 1a9c h GLN 142 Cb 0.40 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1a9c h GLN 142 CO 0.08 0.53 -0.43 0.35 -1.93 0.00 0.00 178.83 177.43 1a9c h PHE 143 N 0.82 -1.16 0.00 3.99 3.57 -0.46 -0.34 116.94 123.36 1a9c h PHE 143 Ca 0.31 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 1a9c h PHE 143 Cb 0.19 0.43 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1a9c h PHE 143 CO -0.00 -0.61 -0.11 0.74 -2.23 0.00 0.00 178.31 176.10 1a9c h PHE 144 N -0.94 0.00 -0.30 0.41 0.04 -1.09 -2.30 116.94 112.76 1a9c h PHE 144 Ca -0.06 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.59 1a9c h PHE 144 Cb 0.80 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 1a9c h PHE 144 CO -0.18 0.11 -0.32 0.00 -0.60 0.00 0.00 178.31 177.32 1a9c h ALA 145 N 1.89 0.88 0.00 2.45 0.00 -0.31 -3.33 119.26 120.84 1a9c h ALA 145 Ca -0.00 -0.41 -0.51 0.00 0.00 0.00 0.00 54.91 53.99 1a9c h ALA 145 Cb 0.49 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1a9c h ALA 145 CO 0.01 0.63 3.15 1.04 0.00 0.00 0.00 179.25 184.09 1a9c n GLN 146 N -4.07 2.78 -3.47 0.00 1.13 -0.20 -4.14 117.38 109.41 1a9c n GLN 146 Ca -0.01 -1.79 -0.11 0.00 -1.94 0.00 0.00 57.00 53.14 1a9c n GLN 146 Cb 0.48 -2.62 -0.02 0.00 0.11 0.00 0.00 30.24 28.19 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 2.90 1.33 -0.31 -1.09 0.52 -1.10 -0.66 118.95 120.55 1a9c s ARG 147 Ca 0.53 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.92 1a9c s ARG 147 Cb 0.14 0.59 -0.01 0.00 0.52 0.00 0.00 34.95 36.19 1a9c s ARG 147 CO -0.04 -0.59 1.53 -2.14 0.02 0.00 0.00 175.30 174.08 1a9c s PRO 148 N -3.77 3.68 0.52 3.54 0.02 -1.26 -3.75 135.00 133.98 1a9c s PRO 148 Ca 0.02 1.35 0.03 0.00 0.02 0.00 0.00 61.00 62.42 1a9c s PRO 148 Cb -0.01 -4.03 0.01 0.00 0.02 0.00 0.00 34.50 30.48 1a9c s PRO 148 CO -0.11 -1.43 0.18 -0.65 -0.33 0.00 0.00 177.00 174.66 1a9c s GLN 149 N 4.82 2.22 -0.07 5.54 -1.52 0.13 -4.56 119.66 126.22 1a9c s GLN 149 Ca 0.67 -2.23 -0.02 0.00 -1.95 0.00 0.00 55.36 51.83 1a9c s GLN 149 Cb -0.20 -1.78 0.03 0.00 -0.22 0.00 0.00 33.01 30.84 1a9c s GLN 149 CO 0.30 -0.47 0.04 0.08 -0.25 0.00 0.00 175.29 174.98 1a9c s VAL 150 N -2.83 0.12 0.30 1.09 1.01 -1.26 -0.83 120.40 117.99 1a9c s VAL 150 Ca 0.18 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.44 1a9c s VAL 150 Cb -0.00 -0.37 0.29 0.00 0.00 0.00 0.00 36.38 36.30 1a9c s VAL 150 CO 0.11 0.17 1.70 -0.61 0.00 0.00 0.00 175.10 176.47 1a9c h GLN 151 N 8.38 0.42 -0.84 2.72 4.15 -1.99 0.68 115.11 128.63 1a9c h GLN 151 Ca -0.15 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.29 1a9c h GLN 151 Cb 1.12 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.67 1a9c h GLN 151 CO 0.21 0.28 0.55 0.93 -1.93 0.00 0.00 178.83 178.87 1a9c h GLU 152 N 0.43 0.97 0.05 1.69 3.07 -1.99 -1.71 114.58 117.09 1a9c h GLU 152 Ca 0.58 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 59.26 1a9c h GLU 152 Cb 1.11 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 28.82 1a9c h GLU 152 CO -0.52 0.64 -0.52 -0.09 -1.40 0.00 0.00 179.01 177.11 1a9c h ARG 153 N 1.00 0.27 -0.73 2.33 2.43 -1.37 -3.20 114.38 115.11 1a9c h ARG 153 Ca 0.35 -0.35 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 1a9c h ARG 153 Cb 0.11 0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 29.68 1a9c h ARG 153 CO -0.11 1.09 0.25 1.25 -1.51 0.00 0.00 179.97 180.94 1a9c h LEU 154 N -0.39 0.17 -0.30 3.80 5.85 -0.83 0.11 115.31 123.72 1a9c h LEU 154 Ca -0.08 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1a9c h LEU 154 Cb 1.32 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1a9c h LEU 154 CO 0.10 0.05 0.16 0.74 -0.34 0.00 0.00 178.44 179.15 1a9c h THR 155 N 0.37 1.13 -0.22 1.05 2.02 -1.42 -2.10 112.91 113.74 1a9c h THR 155 Ca 0.40 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1a9c h THR 155 Cb 0.64 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1a9c h THR 155 CO -0.43 0.13 0.09 1.56 0.37 0.00 0.00 175.52 177.24 1a9c h GLN 156 N 0.36 0.20 -0.15 6.66 1.08 -1.17 -1.78 115.11 120.31 1a9c h GLN 156 Ca 0.10 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 1a9c h GLN 156 Cb 0.06 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 1a9c h GLN 156 CO -0.02 0.13 -0.08 1.96 -0.95 0.00 0.00 178.83 179.88 1a9c h GLN 157 N 0.21 -0.06 -0.75 1.46 4.20 -0.68 -1.48 115.11 118.01 1a9c h GLN 157 Ca 0.09 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1a9c h GLN 157 Cb 0.04 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 1a9c h GLN 157 CO -0.08 -0.04 0.45 0.82 -0.67 0.00 0.00 178.83 179.32 1a9c h ILE 158 N -0.06 1.05 0.42 2.54 2.04 -1.15 0.03 117.51 122.37 1a9c h ILE 158 Ca 0.09 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1a9c h ILE 158 Cb 0.19 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1a9c h ILE 158 CO -0.19 0.16 -0.34 0.25 0.00 0.00 0.00 178.15 178.02 1a9c h LEU 159 N 0.86 -0.91 -0.18 1.44 5.85 -0.77 -1.88 115.31 119.72 1a9c h LEU 159 Ca 0.32 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.12 1a9c h LEU 159 Cb 0.11 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1a9c h LEU 159 CO -0.15 -0.50 0.08 0.40 -0.34 0.00 0.00 178.44 177.93 1a9c h ILE 160 N -0.76 0.98 -0.71 4.05 2.04 -0.89 -0.51 117.51 121.72 1a9c h ILE 160 Ca -0.04 -0.06 0.13 0.00 1.00 0.00 0.00 64.86 65.89 1a9c h ILE 160 Cb 0.66 0.79 -0.09 0.00 -0.74 0.00 0.00 36.82 37.44 1a9c h ILE 160 CO -0.02 0.03 0.27 0.00 0.00 0.00 0.00 178.15 178.43 1a9c h ALA 161 N 1.10 0.96 -0.25 1.87 0.00 -0.92 -0.24 119.26 121.79 1a9c h ALA 161 Ca 0.08 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1a9c h ALA 161 Cb 0.03 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1a9c h ALA 161 CO -0.06 -0.21 -0.21 -0.07 0.00 0.00 0.00 179.25 178.70 1a9c h LEU 162 N 0.42 0.61 -0.90 0.00 3.38 -0.87 -2.05 115.31 115.91 1a9c h LEU 162 Ca 0.38 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.94 1a9c h LEU 162 Cb 0.55 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1a9c h LEU 162 CO -0.38 0.94 0.58 1.56 0.09 0.00 0.00 178.44 181.23 1a9c h GLN 163 N 0.29 1.05 0.57 1.13 4.20 -0.53 0.84 115.11 122.67 1a9c h GLN 163 Ca 0.04 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1a9c h GLN 163 Cb 0.75 -0.24 0.01 0.00 0.30 0.00 0.00 27.48 28.30 1a9c h GLN 163 CO 0.05 0.70 -0.28 1.15 -0.67 0.00 0.00 178.83 179.79 1a9c h THR 164 N 1.09 0.37 -0.56 -0.54 2.02 -1.00 -1.11 112.91 113.18 1a9c h THR 164 Ca 0.37 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1a9c h THR 164 Cb 0.08 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1a9c h THR 164 CO -0.14 0.03 0.25 -0.07 0.37 0.00 0.00 175.52 175.96 1a9c h LEU 165 N -0.93 0.75 -0.29 2.58 3.38 -1.16 -3.00 115.31 116.64 1a9c h LEU 165 Ca -0.08 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1a9c h LEU 165 Cb 0.64 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1a9c h LEU 165 CO 0.13 0.69 0.00 -0.07 0.09 0.00 0.00 178.44 179.28 1a9c h LEU 166 N 0.76 0.00 -0.61 1.67 3.38 -0.89 -3.48 115.31 116.14 1a9c h LEU 166 Ca 0.19 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.91 1a9c h LEU 166 Cb 0.15 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.98 1a9c h LEU 166 CO -0.02 0.00 -0.41 0.61 0.09 0.00 0.00 178.44 178.70 1a9c n GLY 167 N 0.89 -0.00 3.31 0.83 0.00 -0.45 -4.67 105.19 105.10 1a9c n GLY 167 Ca 0.04 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.14 0.05 -0.91 2.61 2.01 -1.05 -4.87 115.64 110.34 1a9c s THR 168 Ca 0.33 -0.40 0.23 0.00 0.31 0.00 0.00 61.69 62.17 1a9c s THR 168 Cb -0.15 -0.77 -0.09 0.00 0.01 0.00 0.00 72.50 71.51 1a9c s THR 168 CO 0.41 -0.22 1.19 0.59 -0.69 0.00 0.00 174.62 175.89 1a9c n ASN 169 N 1.01 0.67 -4.14 3.53 3.02 -1.26 -4.33 115.26 113.76 1a9c n ASN 169 Ca -0.20 -0.44 -0.39 0.00 -0.03 0.00 0.00 54.58 53.51 1a9c n ASN 169 Cb 0.57 0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 40.29 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 -1.61 3.65 -3.97 6.41 3.02 -1.26 -1.22 115.26 120.27 1a9c n ASN 170 Ca 0.04 -2.79 -0.11 0.00 -0.03 0.00 0.00 54.58 51.70 1a9c n ASN 170 Cb 0.36 -1.57 -0.12 0.00 -0.61 0.00 0.00 39.78 37.84 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 5.76 0.18 -0.04 2.41 1.01 -1.24 -2.18 120.40 126.30 1a9c s VAL 171 Ca 0.56 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1a9c s VAL 171 Cb 0.08 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.20 1a9c s VAL 171 CO 0.06 -0.35 0.11 0.00 0.00 0.00 0.00 175.10 174.92 1a9c s ALA 172 N -1.08 -0.25 -0.04 5.51 0.00 -0.25 0.03 121.76 125.67 1a9c s ALA 172 Ca -0.11 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.19 1a9c s ALA 172 Cb -0.08 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1a9c s ALA 172 CO -0.01 -0.06 -0.05 0.08 0.00 0.00 0.00 175.76 175.72 1a9c s VAL 173 N 0.17 0.57 -0.02 0.00 1.01 -0.31 -1.80 120.40 120.02 1a9c s VAL 173 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1a9c s VAL 173 Cb -0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 1a9c s VAL 173 CO -0.00 0.23 -0.12 -0.55 0.00 0.00 0.00 175.10 174.65 1a9c s SER 174 N 0.79 1.47 -0.05 3.32 0.15 -0.44 -0.53 113.70 118.40 1a9c s SER 174 Ca -0.11 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.33 1a9c s SER 174 Cb -0.14 -0.31 0.02 0.00 -1.71 0.00 0.00 66.02 63.88 1a9c s SER 174 CO 0.00 0.11 -0.09 -0.63 1.20 0.00 0.00 173.24 173.84 1a9c s ILE 175 N -0.02 0.85 -0.19 6.45 1.01 0.24 -0.74 121.20 128.81 1a9c s ILE 175 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1a9c s ILE 175 Cb -0.08 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.59 1a9c s ILE 175 CO 0.00 0.29 -0.14 -0.62 0.00 0.00 0.00 174.94 174.48 1a9c s ASP 176 N 0.72 3.64 0.08 3.58 -1.08 -0.62 -1.11 116.67 121.87 1a9c s ASP 176 Ca -0.13 -0.52 -0.11 0.00 -0.52 0.00 0.00 52.55 51.28 1a9c s ASP 176 Cb -0.15 -1.58 0.01 0.00 -1.46 0.00 0.00 42.92 39.74 1a9c s ASP 176 CO 0.02 0.01 0.23 0.00 0.52 0.00 0.00 175.17 175.96 1a9c s ALA 177 N 1.24 -0.41 -0.17 3.66 0.00 0.22 -0.76 121.76 125.55 1a9c s ALA 177 Ca 0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 1a9c s ALA 177 Cb -0.14 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1a9c s ALA 177 CO -0.07 -0.48 -0.05 0.08 0.00 0.00 0.00 175.76 175.24 1a9c s VAL 178 N -3.40 3.63 -0.27 0.00 1.01 0.32 -0.86 120.40 120.83 1a9c s VAL 178 Ca 0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1a9c s VAL 178 Cb 0.02 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1a9c s VAL 178 CO -0.09 0.47 0.16 -1.00 0.00 0.00 0.00 175.10 174.65 1a9c s HIS 179 N 0.74 3.20 -0.91 5.22 3.76 -1.26 -1.20 115.29 124.83 1a9c s HIS 179 Ca -0.02 0.01 0.20 0.00 -0.15 0.00 0.00 55.06 55.10 1a9c s HIS 179 Cb -0.15 -2.34 0.83 0.00 1.11 0.00 0.00 32.58 32.03 1a9c s HIS 179 CO 0.02 -0.19 1.63 0.66 -0.85 0.00 0.00 174.74 176.01 1a9c n TYR 180 N 4.99 0.17 1.67 1.40 4.02 -0.20 -1.61 117.16 127.60 1a9c n TYR 180 Ca -0.15 0.06 0.08 0.00 -0.01 0.00 0.00 57.90 57.88 1a9c n TYR 180 Cb 0.52 -0.60 0.38 0.00 -0.02 0.00 0.00 39.34 39.62 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 -0.30 0.00 -0.07 0.00 0.31 -0.69 -4.67 118.33 112.91 1a9c n VAL 182 Ca 0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.37 1a9c n VAL 182 Cb 0.15 -0.56 -0.06 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 -1.26 -0.70 116.57 123.79 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 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1a9c h LYS 183 CO 0.00 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 1a9c n ALA 184 N -2.97 1.92 -3.83 5.00 0.00 0.32 -4.12 120.51 116.82 1a9c n ALA 184 Ca -0.09 -0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 1a9c n ALA 184 Cb 0.30 -1.39 0.01 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 -3.14 1.87 7.32 0.00 3.00 -1.23 -4.95 118.95 121.82 1a9c s ARG 185 Ca 0.08 -1.17 0.00 0.00 -1.00 0.00 0.00 55.73 53.64 1a9c s ARG 185 Cb 0.12 0.55 0.00 0.00 0.00 0.00 0.00 34.95 35.61 1a9c s ARG 185 CO 0.43 -0.87 0.00 0.41 0.00 0.00 0.00 175.30 175.27 1a9c n GLY 186 N -0.55 2.50 0.11 8.12 0.00 -1.26 -2.17 105.19 111.93 1a9c n GLY 186 Ca -0.06 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.67 -3.91 -0.61 3.06 -1.26 -4.94 119.36 112.38 1a9c n ILE 187 Ca 0.00 -0.07 -0.30 0.00 -2.50 0.00 0.00 62.75 59.88 1a9c n ILE 187 Cb 0.00 -0.81 -0.00 0.00 0.54 0.00 0.00 39.64 39.37 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 -2.23 -2.25 -2.92 9.51 1.74 -0.73 -4.90 116.66 114.88 1a9c n ARG 188 Ca 0.04 0.37 -0.43 0.00 -0.77 0.00 0.00 57.85 57.06 1a9c n ARG 188 Cb 0.35 -4.15 -0.05 0.00 -1.02 0.00 0.00 32.46 27.59 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 -4.03 6.37 0.34 0.55 -1.08 -0.35 -4.90 116.67 113.57 1a9c s ASP 189 Ca 0.19 -0.26 0.26 0.00 -0.52 0.00 0.00 52.55 52.22 1a9c s ASP 189 Cb -0.08 -2.40 0.93 0.00 -1.46 0.00 0.00 42.92 39.91 1a9c s ASP 189 CO 0.90 -1.04 1.77 0.00 0.52 0.00 0.00 175.17 177.32 1a9c h ALA 190 N 9.12 1.00 0.00 3.66 0.00 -1.86 -3.36 119.26 127.82 1a9c h ALA 190 Ca -0.25 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1a9c h ALA 190 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1a9c h ALA 190 CO 1.02 0.00 -1.78 0.25 0.00 0.00 0.00 179.25 178.74 1a9c n THR 191 N -2.56 0.47 -1.79 0.00 -2.24 -1.26 -5.04 114.28 101.86 1a9c n THR 191 Ca 0.03 -0.45 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 1a9c n THR 191 Cb 0.34 -0.25 0.05 0.00 -2.10 0.00 0.00 70.33 68.37 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 -4.14 4.91 -0.03 3.42 1.04 -1.26 -5.06 113.70 112.58 1a9c s SER 192 Ca -0.06 2.25 -0.07 0.00 0.48 0.00 0.00 55.95 58.55 1a9c s SER 192 Cb 0.06 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.61 1a9c s SER 192 CO 0.56 -1.77 0.17 0.00 0.98 0.00 0.00 173.24 173.18 1a9c s ALA 193 N -1.93 -0.42 -0.07 5.32 0.00 -1.26 -4.80 121.76 118.60 1a9c s ALA 193 Ca 0.73 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.90 1a9c s ALA 193 Cb -0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1a9c s ALA 193 CO 0.38 -0.15 -0.03 0.99 0.00 0.00 0.00 175.76 176.95 1a9c s THR 194 N -0.67 4.04 -0.10 0.00 2.01 -0.03 -4.93 115.64 115.96 1a9c s THR 194 Ca -0.08 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1a9c s THR 194 Cb -0.04 -2.69 0.02 0.00 0.01 0.00 0.00 72.50 69.79 1a9c s THR 194 CO 0.01 0.58 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.50 1a9c s THR 195 N -0.87 1.30 0.02 -0.82 2.01 -1.26 -0.61 115.64 115.41 1a9c s THR 195 Ca 0.14 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.68 1a9c s THR 195 Cb -0.11 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1a9c s THR 195 CO 0.03 0.40 -0.18 0.42 -0.69 0.00 0.00 174.62 174.59 1a9c s THR 196 N 1.05 1.47 0.02 -0.82 -4.23 -0.26 -4.98 115.64 107.89 1a9c s THR 196 Ca -0.06 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 1a9c s THR 196 Cb -0.15 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.41 1a9c s THR 196 CO -0.02 0.25 -0.03 0.42 -0.54 0.00 0.00 174.62 174.69 1a9c s THR 197 N -0.66 0.21 -0.08 3.99 -4.23 -1.26 -0.59 115.64 113.01 1a9c s THR 197 Ca 0.06 -0.62 -0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1a9c s THR 197 Cb -0.08 -0.28 0.02 0.00 1.34 0.00 0.00 72.50 73.51 1a9c s THR 197 CO 0.01 -0.27 -0.05 -0.94 -0.54 0.00 0.00 174.62 172.82 1a9c s SER 198 N -0.94 1.69 -0.04 3.99 1.04 0.31 -5.00 113.70 114.75 1a9c s SER 198 Ca -0.08 -0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1a9c s SER 198 Cb -0.06 -0.64 -0.03 0.00 0.10 0.00 0.00 66.02 65.39 1a9c s SER 198 CO -0.00 -0.11 -0.14 -0.76 0.98 0.00 0.00 173.24 173.21 1a9c s LEU 199 N 1.48 2.77 0.17 2.42 1.43 -1.26 -1.17 118.68 124.52 1a9c s LEU 199 Ca -0.01 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1a9c s LEU 199 Cb -0.13 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1a9c s LEU 199 CO -0.04 0.34 -0.14 -0.83 0.23 0.00 0.00 176.35 175.91 1a9c s GLY 200 N -0.81 1.29 0.00 -3.19 0.00 0.10 -4.69 107.32 100.02 1a9c s GLY 200 Ca 0.12 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1a9c s GLY 200 CO 0.01 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.11 1a9c n GLY 201 N -0.05 2.61 0.40 0.20 0.00 -0.36 -1.60 105.19 106.39 1a9c n GLY 201 Ca -0.11 -0.24 0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 0.27 -1.33 0.99 3.38 -1.94 0.13 115.31 116.81 1a9c h LEU 202 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a9c h LEU 202 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1a9c h LEU 202 CO 0.00 0.12 0.00 0.49 0.09 0.00 0.00 178.44 179.14 1a9c n PHE 203 N -4.44 0.68 -0.05 1.13 3.72 -0.63 -0.41 117.46 117.46 1a9c n PHE 203 Ca 0.17 0.35 -0.08 0.00 -0.05 0.00 0.00 57.45 57.84 1a9c n PHE 203 Cb 0.69 -1.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.12 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 -2.20 0.21 0.30 -1.08 4.81 0.33 -4.12 118.16 116.42 1a9c n LYS 204 Ca -0.01 0.07 -0.13 0.00 -0.87 0.00 0.00 58.31 57.36 1a9c n LYS 204 Cb 0.03 -1.05 -0.07 0.00 0.02 0.00 0.00 35.03 33.97 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 -0.13 -0.68 -3.49 3.14 0.02 -0.90 -3.43 113.55 108.09 1a9c h SER 205 Ca -0.21 -0.01 -0.58 0.00 -0.84 0.00 0.00 61.79 60.15 1a9c h SER 205 Cb 1.27 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.91 1a9c h SER 205 CO -0.07 -0.29 0.73 -0.55 -1.14 0.00 0.00 176.83 175.50 1a9c s SER 206 N -4.63 6.73 0.49 3.07 0.15 0.45 -4.90 113.70 115.07 1a9c s SER 206 Ca -0.13 0.67 0.21 0.00 0.70 0.00 0.00 55.95 57.41 1a9c s SER 206 Cb 0.01 -2.50 1.28 0.00 -1.71 0.00 0.00 66.02 63.10 1a9c s SER 206 CO 0.41 -0.95 2.06 -0.61 1.20 0.00 0.00 173.24 175.35 1a9c h GLN 207 N 8.53 0.00 0.50 5.44 4.15 -1.83 0.11 115.11 132.01 1a9c h GLN 207 Ca -0.22 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 1a9c h GLN 207 Cb 1.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1a9c h GLN 207 CO 1.03 0.13 -0.24 -0.97 -1.93 0.00 0.00 178.83 176.85 1a9c h ASN 208 N 0.00 -0.57 0.08 -0.69 -1.24 -1.92 -1.52 115.58 109.73 1a9c h ASN 208 Ca -0.00 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 1a9c h ASN 208 Cb 0.28 0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1a9c h ASN 208 CO 0.02 -0.29 -0.04 0.74 -1.29 0.00 0.00 177.43 176.56 1a9c h THR 209 N -0.84 0.99 -0.58 -3.57 2.02 -1.72 -2.56 112.91 106.66 1a9c h THR 209 Ca -0.07 -0.24 0.11 0.00 0.77 0.00 0.00 66.41 66.98 1a9c h THR 209 Cb 0.58 1.14 -0.11 0.00 -1.74 0.00 0.00 68.15 68.02 1a9c h THR 209 CO 0.11 0.06 -0.28 -0.09 0.37 0.00 0.00 175.52 175.69 1a9c h ARG 210 N -0.22 -0.12 -0.12 6.66 2.43 -0.81 -1.34 114.38 120.86 1a9c h ARG 210 Ca -0.01 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1a9c h ARG 210 Cb 0.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1a9c h ARG 210 CO 0.02 -0.08 -0.44 0.45 -1.51 0.00 0.00 179.97 178.41 1a9c h HIS 211 N -0.13 0.33 -0.94 2.20 3.86 -1.22 -1.50 115.15 117.75 1a9c h HIS 211 Ca 0.25 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1a9c h HIS 211 Cb 0.53 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.88 1a9c h HIS 211 CO -0.59 0.67 0.59 0.93 0.86 0.00 0.00 177.93 180.39 1a9c h GLU 212 N 0.23 1.26 0.19 2.45 5.08 -0.84 0.15 114.58 123.10 1a9c h GLU 212 Ca 0.02 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1a9c h GLU 212 Cb 0.87 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1a9c h GLU 212 CO 0.07 0.86 -0.09 0.35 -1.00 0.00 0.00 179.01 179.20 1a9c h PHE 213 N 1.29 -0.23 -0.91 4.33 3.57 -1.07 -2.76 116.94 121.17 1a9c h PHE 213 Ca 0.34 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.94 1a9c h PHE 213 Cb -0.09 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.65 1a9c h PHE 213 CO 0.00 0.16 0.55 -0.07 -2.23 0.00 0.00 178.31 176.72 1a9c h LEU 214 N -0.72 0.80 -1.13 0.59 3.38 -1.02 0.13 115.31 117.34 1a9c h LEU 214 Ca -0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1a9c h LEU 214 Cb 0.50 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1a9c h LEU 214 CO 0.04 0.45 0.39 -0.09 0.09 0.00 0.00 178.44 179.32 1a9c h ARG 215 N 0.90 0.99 0.00 1.13 2.43 -0.75 -2.18 114.38 116.90 1a9c h ARG 215 Ca 0.44 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1a9c h ARG 215 Cb 0.39 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1a9c h ARG 215 CO -0.25 0.73 0.00 0.00 -1.51 0.00 0.00 179.97 178.94 1a9c h ALA 216 N 1.43 1.00 -2.83 2.80 0.00 -0.68 -3.46 119.26 117.53 1a9c h ALA 216 Ca 0.25 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.65 1a9c h ALA 216 Cb 0.03 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.88 1a9c h ALA 216 CO -0.04 0.00 0.57 0.08 0.00 0.00 0.00 179.25 179.86 1a9c s VAL 217 N -3.52 2.89 0.06 0.00 1.01 -0.82 -4.78 120.40 115.24 1a9c s VAL 217 Ca 0.03 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1a9c s VAL 217 Cb 0.08 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1a9c s VAL 217 CO 0.54 0.14 0.00 -1.14 0.00 0.00 0.00 175.10 174.64 1a9c n ARG 218 N 0.40 -1.35 -3.68 2.72 3.00 -1.26 -5.05 116.66 111.45 1a9c n ARG 218 Ca 0.02 1.27 -0.13 0.00 -0.00 0.00 0.00 57.85 59.01 1a9c n ARG 218 Cb 0.44 -1.03 -0.13 0.00 0.00 0.00 0.00 32.46 31.74 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 -0.32 -0.41 0.11 -0.14 3.76 -1.26 -5.13 115.29 111.90 1a9c s HIS 219 Ca 0.00 0.94 -0.31 0.00 -0.15 0.00 0.00 55.06 55.54 1a9c s HIS 219 Cb 0.00 0.00 -0.09 0.00 1.11 0.00 0.00 32.58 33.61 1a9c s HIS 219 CO 0.00 -0.32 1.59 -1.01 -0.85 0.00 0.00 174.74 174.15 1a9c s HIS 220 N 2.06 2.75 0.00 1.40 3.76 -1.26 -4.94 115.29 119.06 1a9c s HIS 220 Ca -0.02 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1a9c s HIS 220 Cb -0.11 -3.91 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