#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8r n SER 2 N 0.00 0.00 -4.74 3.54 2.88 -1.26 -5.15 113.62 108.89 1a8r n SER 2 Ca 0.00 -0.60 -0.34 0.00 -1.33 0.00 0.00 58.87 56.60 1a8r n SER 2 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1a8r n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a8r s LEU 3 N 0.00 3.32 0.76 2.46 1.43 -1.26 -5.00 118.68 120.39 1a8r s LEU 3 Ca 0.00 2.23 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 1a8r s LEU 3 Cb 0.00 -4.58 0.05 0.00 0.03 0.00 0.00 46.19 41.69 1a8r s LEU 3 CO 0.00 -2.09 1.11 -0.94 0.23 0.00 0.00 176.35 174.66 1a8r s SER 4 N -2.23 4.89 0.20 2.29 1.04 -1.26 -4.85 113.70 113.78 1a8r s SER 4 Ca 0.72 1.17 -0.10 0.00 0.48 0.00 0.00 55.95 58.21 1a8r s SER 4 Cb -0.26 -1.90 0.21 0.00 0.10 0.00 0.00 66.02 64.17 1a8r s SER 4 CO 0.44 -1.70 1.80 0.11 0.98 0.00 0.00 173.24 174.88 1a8r h LYS 5 N -0.90 0.62 -0.38 4.02 1.57 -2.00 -1.15 116.57 118.35 1a8r h LYS 5 Ca -0.46 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 1a8r h LYS 5 Cb 1.27 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1a8r h LYS 5 CO 0.62 0.41 0.15 0.93 -0.57 0.00 0.00 179.45 180.99 1a8r h GLU 6 N 0.64 0.58 -0.14 3.15 3.07 -1.97 -1.18 114.58 118.73 1a8r h GLU 6 Ca 0.28 -0.11 0.04 0.00 -0.50 0.00 0.00 59.36 59.07 1a8r h GLU 6 Cb 0.17 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 1a8r h GLU 6 CO -0.18 0.56 -0.13 0.00 -1.40 0.00 0.00 179.01 177.86 1a8r h ALA 7 N 0.99 -0.03 -0.06 3.43 0.00 -1.76 -0.65 119.26 121.18 1a8r h ALA 7 Ca 0.13 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1a8r h ALA 7 Cb 0.20 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1a8r h ALA 7 CO -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 179.25 178.64 1a8r h ALA 8 N 0.94 0.03 0.21 0.00 0.00 -1.05 -0.22 119.26 119.16 1a8r h ALA 8 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a8r h ALA 8 Cb 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1a8r h ALA 8 CO -0.23 -0.50 -0.22 -0.07 0.00 0.00 0.00 179.25 178.23 1a8r h LEU 9 N -0.02 -0.59 -0.20 0.00 3.38 -0.94 -0.46 115.31 116.49 1a8r h LEU 9 Ca 0.03 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1a8r h LEU 9 Cb 0.06 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1a8r h LEU 9 CO -0.07 -0.32 -0.00 0.58 0.09 0.00 0.00 178.44 178.72 1a8r h VAL 10 N -0.46 0.86 -0.67 1.22 2.07 -1.02 0.11 116.25 118.36 1a8r h VAL 10 Ca 0.00 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1a8r h VAL 10 Cb 0.44 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1a8r h VAL 10 CO -0.06 0.01 0.33 -0.74 0.02 0.00 0.00 177.57 177.13 1a8r h HIS 11 N 0.06 0.60 0.18 1.57 -0.00 -0.88 0.35 115.15 117.03 1a8r h HIS 11 Ca 0.09 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1a8r h HIS 11 Cb 0.12 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1a8r h HIS 11 CO -0.18 0.24 -0.09 0.93 -0.00 0.00 0.00 177.93 178.84 1a8r h GLU 12 N 0.59 -0.23 -0.75 5.26 5.08 -0.48 -0.97 114.58 123.08 1a8r h GLU 12 Ca 0.32 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.83 1a8r h GLU 12 Cb 0.30 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.51 1a8r h GLU 12 CO -0.24 -0.06 0.30 0.00 -1.00 0.00 0.00 179.01 178.01 1a8r h ALA 13 N 0.44 1.04 -0.09 3.43 0.00 -0.05 0.98 119.26 125.01 1a8r h ALA 13 Ca -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1a8r h ALA 13 Cb 0.28 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1a8r h ALA 13 CO 0.04 -0.21 0.00 -0.07 0.00 0.00 0.00 179.25 179.02 1a8r h LEU 14 N 0.44 0.15 -0.51 0.00 3.38 -0.80 -2.17 115.31 115.81 1a8r h LEU 14 Ca 0.41 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1a8r h LEU 14 Cb 0.61 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1a8r h LEU 14 CO -0.40 0.41 0.20 0.58 0.09 0.00 0.00 178.44 179.32 1a8r h VAL 15 N -0.12 0.86 -0.88 1.22 2.07 -0.37 0.14 116.25 119.17 1a8r h VAL 15 Ca 0.02 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.50 1a8r h VAL 15 Cb 0.33 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 1a8r h VAL 15 CO 0.00 0.07 0.53 0.00 0.02 0.00 0.00 177.57 178.19 1a8r h ALA 16 N 1.32 1.26 -0.01 1.67 0.00 -0.72 0.33 119.26 123.11 1a8r h ALA 16 Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1a8r h ALA 16 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1a8r h ALA 16 CO -0.23 0.18 -0.01 0.54 0.00 0.00 0.00 179.25 179.73 1a8r n ARG 17 N -4.68 1.44 -2.55 0.00 3.00 -0.77 -4.92 116.66 108.19 1a8r n ARG 17 Ca 0.15 -0.68 -0.15 0.00 -0.01 0.00 0.00 57.85 57.15 1a8r n ARG 17 Cb 0.27 -1.49 0.01 0.00 0.00 0.00 0.00 32.46 31.25 1a8r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a8r n GLY 18 N 1.13 -0.21 0.36 -0.13 0.00 0.11 -4.91 105.19 101.55 1a8r n GLY 18 Ca 0.20 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1a8r n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a8r n LEU 19 N -2.56 1.72 -4.76 0.99 4.77 -0.14 -5.00 117.00 112.03 1a8r n LEU 19 Ca -0.13 -0.70 -0.39 0.00 -0.03 0.00 0.00 56.01 54.76 1a8r n LEU 19 Cb 0.61 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.73 1a8r n LEU 19 CO 0.27 0.33 1.04 -1.61 -1.33 0.00 0.00 177.39 176.10 1a8r s GLU 20 N -2.46 3.39 0.35 3.23 0.41 -1.24 -4.85 118.70 117.53 1a8r s GLU 20 Ca 0.15 2.36 -0.28 0.00 -0.41 0.00 0.00 54.97 56.79 1a8r s GLU 20 Cb 0.16 -2.45 -0.10 0.00 -1.78 0.00 0.00 34.13 29.96 1a8r s GLU 20 CO 0.60 -1.04 1.32 0.99 -0.49 0.00 0.00 175.26 176.64 1a8r s THR 21 N -1.24 2.64 -0.83 3.63 2.01 -1.26 -4.80 115.64 115.79 1a8r s THR 21 Ca 0.67 0.64 -0.21 0.00 0.31 0.00 0.00 61.69 63.09 1a8r s THR 21 Cb -0.43 -3.40 -0.19 0.00 0.01 0.00 0.00 72.50 68.49 1a8r s THR 21 CO 0.53 0.14 2.18 -2.65 -0.69 0.00 0.00 174.62 174.13 1a8r n PRO 22 N 0.64 0.30 -4.87 4.92 -0.02 -1.26 -4.88 135.00 129.83 1a8r n PRO 22 Ca 0.01 -0.82 -0.25 0.00 -2.02 0.00 0.00 63.50 60.41 1a8r n PRO 22 Cb 0.42 -3.03 -0.15 0.00 -0.02 0.00 0.00 33.50 30.72 1a8r n PRO 22 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1a8r s LEU 23 N 11.47 2.03 0.03 2.45 2.96 -1.26 -5.14 118.68 131.22 1a8r s LEU 23 Ca 0.90 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 54.36 1a8r s LEU 23 Cb -0.23 -0.94 -0.06 0.00 0.50 0.00 0.00 46.19 45.46 1a8r s LEU 23 CO 0.19 0.22 0.37 -0.13 -1.32 0.00 0.00 176.35 175.68 1a8r s ARG 24 N -0.41 3.79 0.66 1.98 0.52 -1.26 -5.07 118.95 119.16 1a8r s ARG 24 Ca 0.07 0.23 -0.17 0.00 -0.52 0.00 0.00 55.73 55.33 1a8r s ARG 24 Cb -0.07 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 1a8r s ARG 24 CO -0.01 0.64 1.15 -2.30 0.02 0.00 0.00 175.30 174.80 1a8r n PRO 25 N 1.38 0.90 -1.53 3.54 -0.02 -1.26 -4.77 135.00 133.24 1a8r n PRO 25 Ca -0.12 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 1a8r n PRO 25 Cb 0.53 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 1a8r n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a8r n PRO 26 N -1.76 0.37 -0.15 0.52 -0.02 -1.26 -4.77 135.00 127.92 1a8r n PRO 26 Ca 0.15 -0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.20 1a8r n PRO 26 Cb 0.48 -2.57 0.20 0.00 -0.02 0.00 0.00 33.50 31.59 1a8r n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1a8r h VAL 27 N 7.48 1.22 -2.88 -1.45 2.07 -2.04 -3.43 116.25 117.22 1a8r h VAL 27 Ca -0.02 -0.73 -0.14 0.00 0.82 0.00 0.00 66.70 66.63 1a8r h VAL 27 Cb 1.10 0.55 -0.26 0.00 -1.52 0.00 0.00 31.29 31.16 1a8r h VAL 27 CO 1.27 0.28 -0.34 -1.00 0.02 0.00 0.00 177.57 177.80 1a8r s HIS 28 N -5.34 -0.41 -1.48 1.57 3.76 -1.26 -5.05 115.29 107.07 1a8r s HIS 28 Ca -0.10 0.97 -0.10 0.00 -0.15 0.00 0.00 55.06 55.68 1a8r s HIS 28 Cb 0.16 0.14 0.02 0.00 1.11 0.00 0.00 32.58 34.01 1a8r s HIS 28 CO 0.80 -0.22 2.50 0.39 -0.85 0.00 0.00 174.74 177.36 1a8r n GLU 29 N 3.40 3.58 -3.32 1.40 1.02 -1.26 -4.93 120.64 120.53 1a8r n GLU 29 Ca -0.17 -2.70 -0.38 0.00 -0.02 0.00 0.00 57.16 53.88 1a8r n GLU 29 Cb 0.56 -2.94 -0.06 0.00 -0.02 0.00 0.00 31.44 28.99 1a8r n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1a8r s MET 30 N 1.70 4.24 0.32 3.49 1.75 -1.26 -5.03 119.30 124.51 1a8r s MET 30 Ca 0.56 0.53 -0.29 0.00 -1.25 0.00 0.00 55.69 55.24 1a8r s MET 30 Cb 0.16 -3.35 -0.11 0.00 2.84 0.00 0.00 34.83 34.36 1a8r s MET 30 CO -0.07 0.35 1.57 0.34 -0.65 0.00 0.00 175.02 176.57 1a8r s ASP 31 N -0.05 6.33 0.44 1.11 -1.08 -1.26 -4.88 116.67 117.27 1a8r s ASP 31 Ca 0.27 3.01 0.27 0.00 -0.52 0.00 0.00 52.55 55.58 1a8r s ASP 31 Cb -0.16 -2.65 1.32 0.00 -1.46 0.00 0.00 42.92 39.96 1a8r s ASP 31 CO 0.13 -0.93 1.70 0.78 0.52 0.00 0.00 175.17 177.38 1a8r h ASN 32 N 4.22 0.29 -0.94 -0.34 4.21 -2.00 -1.76 115.58 119.26 1a8r h ASN 32 Ca -0.48 0.09 0.07 0.00 1.21 0.00 0.00 56.30 57.19 1a8r h ASN 32 Cb 1.23 0.06 -0.07 0.00 -1.12 0.00 0.00 38.32 38.42 1a8r h ASN 32 CO 0.74 -0.04 0.59 -0.33 -1.29 0.00 0.00 177.43 177.11 1a8r h GLU 33 N 0.20 1.04 -0.37 0.81 5.08 -1.99 0.83 114.58 120.18 1a8r h GLU 33 Ca 0.70 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.84 1a8r h GLU 33 Cb 2.13 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 1a8r h GLU 33 CO -0.30 0.69 -0.38 1.15 -1.00 0.00 0.00 179.01 179.17 1a8r h THR 34 N 1.08 1.27 -0.18 1.13 2.02 -1.69 -0.66 112.91 115.88 1a8r h THR 34 Ca 0.41 -1.55 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1a8r h THR 34 Cb 0.18 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1a8r h THR 34 CO -0.18 0.52 0.11 0.03 0.37 0.00 0.00 175.52 176.37 1a8r h ARG 35 N 0.73 0.21 -0.79 6.66 3.08 -1.39 -0.02 114.38 122.87 1a8r h ARG 35 Ca 0.06 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.15 1a8r h ARG 35 Cb 0.97 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.92 1a8r h ARG 35 CO 0.09 0.14 0.48 0.87 -1.07 0.00 0.00 179.97 180.49 1a8r h LYS 36 N 0.22 0.88 -0.54 0.04 1.57 -0.64 0.15 116.57 118.25 1a8r h LYS 36 Ca 0.07 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1a8r h LYS 36 Cb -0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1a8r h LYS 36 CO -0.03 0.58 0.01 0.66 -0.57 0.00 0.00 179.45 180.11 1a8r h SER 37 N 0.91 0.93 -0.17 0.86 4.64 -0.74 0.96 113.55 120.94 1a8r h SER 37 Ca 0.33 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1a8r h SER 37 Cb 0.11 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1a8r h SER 37 CO -0.15 1.00 0.07 -0.07 -0.87 0.00 0.00 176.83 176.81 1a8r h LEU 38 N 0.83 0.23 -0.33 5.97 3.38 -0.27 -0.20 115.31 124.93 1a8r h LEU 38 Ca 0.16 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1a8r h LEU 38 Cb 0.52 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1a8r h LEU 38 CO 0.03 0.33 0.19 0.40 0.09 0.00 0.00 178.44 179.47 1a8r h ILE 39 N 0.11 1.13 -0.49 1.22 2.04 -0.64 -1.72 117.51 119.16 1a8r h ILE 39 Ca 0.06 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.67 1a8r h ILE 39 Cb 0.17 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1a8r h ILE 39 CO -0.00 0.13 0.14 0.00 0.00 0.00 0.00 178.15 178.41 1a8r h ALA 40 N 1.06 0.58 -0.08 1.87 0.00 -0.63 -0.23 119.26 121.83 1a8r h ALA 40 Ca 0.12 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1a8r h ALA 40 Cb 0.04 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1a8r h ALA 40 CO -0.02 -0.26 -0.16 0.78 0.00 0.00 0.00 179.25 179.59 1a8r h GLY 41 N 0.30 -0.13 0.59 0.00 0.00 -0.53 0.14 103.07 103.43 1a8r h GLY 41 Ca 0.24 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.84 1a8r h GLY 41 CO -0.27 -0.15 0.49 0.45 0.00 0.00 0.00 176.54 177.05 1a8r h HIS 42 N -0.22 0.90 -0.50 5.60 -0.00 -0.64 -1.12 115.15 119.16 1a8r h HIS 42 Ca 0.08 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1a8r h HIS 42 Cb 0.33 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 1a8r h HIS 42 CO -0.25 0.40 0.18 0.52 -0.00 0.00 0.00 177.93 178.78 1a8r h MET 43 N 0.85 0.76 -0.48 2.45 2.86 -0.17 -0.87 114.93 120.33 1a8r h MET 43 Ca 0.39 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 57.95 1a8r h MET 43 Cb 0.30 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 1a8r h MET 43 CO -0.22 0.69 0.15 1.15 1.06 0.00 0.00 176.91 179.75 1a8r h THR 44 N 0.68 0.82 -0.01 2.22 2.02 0.14 -0.11 112.91 118.65 1a8r h THR 44 Ca 0.17 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.26 1a8r h THR 44 Cb 0.23 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1a8r h THR 44 CO -0.01 0.06 -0.16 -0.33 0.37 0.00 0.00 175.52 175.45 1a8r h GLU 45 N 0.32 -0.25 -0.12 6.66 4.39 -0.91 -1.27 114.58 123.40 1a8r h GLU 45 Ca 0.23 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.99 1a8r h GLU 45 Cb 0.26 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 1a8r h GLU 45 CO -0.25 -0.17 -0.16 0.82 -1.16 0.00 0.00 179.01 178.09 1a8r h ILE 46 N -0.26 0.58 -0.68 3.13 2.04 -0.39 0.16 117.51 122.10 1a8r h ILE 46 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1a8r h ILE 46 Cb 0.33 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1a8r h ILE 46 CO -0.16 0.00 0.45 0.24 0.00 0.00 0.00 178.15 178.68 1a8r h MET 47 N -0.20 0.77 -0.63 2.37 2.86 -0.87 -0.37 114.93 118.86 1a8r h MET 47 Ca 0.09 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1a8r h MET 47 Cb 0.34 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1a8r h MET 47 CO -0.24 0.51 0.07 1.96 1.06 0.00 0.00 176.91 180.27 1a8r h GLN 48 N 0.80 1.07 0.00 1.72 4.20 -0.17 -0.70 115.11 122.03 1a8r h GLN 48 Ca 0.27 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1a8r h GLN 48 Cb 0.10 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1a8r h GLN 48 CO -0.08 1.01 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.87 1a8r h LEU 49 N 0.98 0.00 -0.96 1.46 3.38 0.57 0.27 115.31 121.01 1a8r h LEU 49 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1a8r h LEU 49 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1a8r h LEU 49 CO 0.02 0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.88 1a8r n LEU 50 N -3.60 1.47 -2.00 1.67 4.77 -0.38 -4.93 117.00 114.00 1a8r n LEU 50 Ca -0.01 -0.53 -0.17 0.00 -0.03 0.00 0.00 56.01 55.26 1a8r n LEU 50 Cb 0.28 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1a8r n LEU 50 CO 0.31 0.27 -0.20 0.59 -1.33 0.00 0.00 177.39 177.02 1a8r n ASN 51 N 0.16 -5.06 -4.78 -1.43 3.02 0.08 -4.99 115.26 102.26 1a8r n ASN 51 Ca 0.18 -0.04 -0.39 0.00 -0.03 0.00 0.00 54.58 54.31 1a8r n ASN 51 Cb 0.33 -4.13 -0.06 0.00 -0.61 0.00 0.00 39.78 35.31 1a8r n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a8r s LEU 52 N -4.98 4.56 -0.98 3.41 1.43 -0.36 -4.98 118.68 116.79 1a8r s LEU 52 Ca 0.02 1.65 -0.21 0.00 -1.03 0.00 0.00 54.13 54.56 1a8r s LEU 52 Cb -0.01 -3.37 0.09 0.00 0.03 0.00 0.00 46.19 42.94 1a8r s LEU 52 CO 0.03 0.18 1.29 -0.62 0.23 0.00 0.00 176.35 177.46 1a8r s ASP 53 N -1.22 6.58 0.00 2.29 2.15 -1.26 -4.59 116.67 120.62 1a8r s ASP 53 Ca 0.37 -1.79 0.02 0.00 0.43 0.00 0.00 52.55 51.58 1a8r s ASP 53 Cb -0.22 -2.48 0.09 0.00 -0.30 0.00 0.00 42.92 40.01 1a8r s ASP 53 CO 0.26 -1.27 0.68 0.18 -0.17 0.00 0.00 175.17 174.85 1a8r n LEU 54 N 7.64 0.00 0.14 -1.34 4.77 -1.26 -1.13 117.00 125.82 1a8r n LEU 54 Ca 0.29 0.10 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 1a8r n LEU 54 Cb 0.50 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1a8r n LEU 54 CO 0.58 -0.09 0.39 0.00 -1.33 0.00 0.00 177.39 176.94 1a8r h ALA 55 N 2.09 0.73 -2.76 -1.18 0.00 -1.93 -3.25 119.26 112.97 1a8r h ALA 55 Ca 0.00 -0.34 -0.52 0.00 0.00 0.00 0.00 54.91 54.04 1a8r h ALA 55 Cb 0.01 0.01 0.05 0.00 0.00 0.00 0.00 17.79 17.85 1a8r h ALA 55 CO 0.00 0.43 0.71 0.34 0.00 0.00 0.00 179.25 180.74 1a8r s ASP 56 N -6.16 6.72 0.42 0.00 2.15 -0.28 -4.81 116.67 114.71 1a8r s ASP 56 Ca 0.03 2.62 0.19 0.00 0.43 0.00 0.00 52.55 55.83 1a8r s ASP 56 Cb 0.07 -2.63 1.13 0.00 -0.30 0.00 0.00 42.92 41.19 1a8r s ASP 56 CO 0.74 -0.64 1.83 -2.24 -0.17 0.00 0.00 175.17 174.69 1a8r h ASP 57 N 4.77 0.39 1.03 -0.34 3.04 -1.89 0.69 116.42 124.11 1a8r h ASP 57 Ca -0.46 0.05 -0.09 0.00 -3.24 0.00 0.00 57.03 53.29 1a8r h ASP 57 Cb 1.22 -0.02 -0.01 0.00 -1.04 0.00 0.00 39.33 39.48 1a8r h ASP 57 CO 0.75 0.13 -0.41 -1.28 -2.04 0.00 0.00 179.24 176.39 1a8r h SER 58 N 0.37 0.00 0.00 4.15 0.87 -1.95 -3.32 113.55 113.67 1a8r h SER 58 Ca 0.51 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.96 1a8r h SER 58 Cb 1.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 1a8r h SER 58 CO -0.20 0.41 -1.99 0.18 -0.53 0.00 0.00 176.83 174.70 1a8r n LEU 59 N -3.43 0.00 -0.36 2.23 4.77 -0.16 -4.65 117.00 115.41 1a8r n LEU 59 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1a8r n LEU 59 Cb 0.57 0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.84 1a8r n LEU 59 CO 0.38 0.15 0.58 -0.03 -1.33 0.00 0.00 177.39 177.14 1a8r h MET 60 N 0.00 -0.03 -0.00 3.23 4.05 -0.99 -1.51 114.93 119.68 1a8r h MET 60 Ca -0.16 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1a8r h MET 60 Cb 1.28 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1a8r h MET 60 CO 0.01 -0.02 -0.20 0.39 0.23 0.00 0.00 176.91 177.32 1a8r n GLU 61 N -5.45 0.21 -0.21 0.39 -0.58 -1.26 -4.42 120.64 109.32 1a8r n GLU 61 Ca 0.09 -0.08 -0.01 0.00 -0.42 0.00 0.00 57.16 56.74 1a8r n GLU 61 Cb 0.38 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.82 1a8r n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1a8r h THR 62 N 0.18 0.36 -0.89 2.62 2.02 -1.53 -0.15 112.91 115.52 1a8r h THR 62 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1a8r h THR 62 Cb 0.46 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1a8r h THR 62 CO 0.00 0.00 0.58 -0.65 0.37 0.00 0.00 175.52 175.82 1a8r h PRO 63 N -0.01 0.95 -0.47 6.66 0.11 -1.77 0.21 132.00 137.68 1a8r h PRO 63 Ca 0.30 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.27 1a8r h PRO 63 Cb 0.46 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1a8r h PRO 63 CO -0.65 0.63 -0.04 1.25 -0.21 0.00 0.00 178.00 178.98 1a8r h HIS 64 N 0.98 0.94 -0.62 0.65 -0.00 -1.39 -0.94 115.15 114.78 1a8r h HIS 64 Ca 0.39 -0.18 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 1a8r h HIS 64 Cb 0.26 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 1a8r h HIS 64 CO -0.00 0.91 0.25 0.00 -0.00 0.00 0.00 177.93 179.09 1a8r h ARG 65 N 0.70 0.92 -0.31 5.26 3.08 0.30 -0.25 114.38 124.09 1a8r h ARG 65 Ca 0.13 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1a8r h ARG 65 Cb 0.56 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1a8r h ARG 65 CO 0.03 0.78 -0.39 0.82 -1.07 0.00 0.00 179.97 180.14 1a8r h ILE 66 N 0.86 1.29 0.19 2.04 2.04 -0.53 -0.63 117.51 122.77 1a8r h ILE 66 Ca 0.21 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1a8r h ILE 66 Cb 0.20 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1a8r h ILE 66 CO -0.02 0.51 -0.09 0.00 0.00 0.00 0.00 178.15 178.55 1a8r h ALA 67 N 0.95 -0.25 -0.99 1.87 0.00 -0.89 -1.35 119.26 118.60 1a8r h ALA 67 Ca 0.05 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1a8r h ALA 67 Cb 0.94 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1a8r h ALA 67 CO 0.09 -0.63 0.64 -0.22 0.00 0.00 0.00 179.25 179.14 1a8r h LYS 68 N -0.29 1.17 -0.16 0.00 3.64 -0.95 -1.73 116.57 118.26 1a8r h LYS 68 Ca -0.03 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1a8r h LYS 68 Cb 0.22 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1a8r h LYS 68 CO 0.04 0.78 0.06 1.98 -2.27 0.00 0.00 179.45 180.04 1a8r h MET 69 N 1.21 0.24 0.26 1.90 4.05 -0.82 0.33 114.93 122.10 1a8r h MET 69 Ca 0.41 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.77 1a8r h MET 69 Cb 0.08 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1a8r h MET 69 CO -0.15 0.34 -0.13 1.88 0.23 0.00 0.00 176.91 179.08 1a8r h TYR 70 N 0.09 -0.33 0.22 1.39 0.05 -0.96 0.60 116.97 118.03 1a8r h TYR 70 Ca 0.05 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1a8r h TYR 70 Cb 0.20 0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1a8r h TYR 70 CO -0.01 -0.11 -0.11 0.28 -1.05 0.00 0.00 178.16 177.17 1a8r h VAL 71 N -0.49 0.69 0.00 -2.88 2.07 -1.38 -3.30 116.25 110.97 1a8r h VAL 71 Ca -0.04 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1a8r h VAL 71 Cb 0.37 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1a8r h VAL 71 CO 0.06 0.17 -0.83 0.47 0.02 0.00 0.00 177.57 177.46 1a8r n ASP 72 N -4.99 0.63 0.00 0.57 8.00 0.09 -4.53 116.55 116.32 1a8r n ASP 72 Ca -0.08 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1a8r n ASP 72 Cb 0.26 0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1a8r n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1a8r n GLU 73 N -1.88 0.00 0.27 -1.24 1.02 -0.17 -4.68 120.64 113.95 1a8r n GLU 73 Ca 0.03 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.32 1a8r n GLU 73 Cb 0.41 0.00 0.79 0.00 -0.02 0.00 0.00 31.44 32.62 1a8r n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1a8r h ILE 74 N 0.00 0.00 -0.06 -3.67 3.07 -1.21 -1.64 117.51 114.00 1a8r h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1a8r h ILE 74 Cb 0.00 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 37.19 1a8r h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1a8r n PHE 75 N -2.66 0.19 0.10 0.16 3.72 -1.24 -2.75 117.46 114.98 1a8r n PHE 75 Ca -0.02 -0.91 0.18 0.00 -0.05 0.00 0.00 57.45 56.64 1a8r n PHE 75 Cb 0.23 -0.17 0.73 0.00 -0.94 0.00 0.00 39.48 39.33 1a8r n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a8r h SER 76 N 0.39 0.00 0.33 4.37 4.64 -1.26 -0.84 113.55 121.18 1a8r h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a8r h SER 76 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1a8r h SER 76 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1a8r n GLY 77 N -1.55 -0.82 0.18 -0.77 0.00 -0.57 -2.16 105.19 99.51 1a8r n GLY 77 Ca 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1a8r n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a8r h LEU 78 N 0.00 0.00 -8.75 0.99 3.38 -1.27 -3.42 115.31 106.24 1a8r h LEU 78 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1a8r h LEU 78 Cb 0.17 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.73 1a8r h LEU 78 CO 0.00 0.38 -0.49 -0.62 0.09 0.00 0.00 178.44 177.80 1a8r s ASP 79 N -6.40 6.04 0.00 -0.43 2.15 -0.92 -4.95 116.67 112.16 1a8r s ASP 79 Ca 0.01 -0.34 0.08 0.00 0.43 0.00 0.00 52.55 52.73 1a8r s ASP 79 Cb 0.10 -2.13 0.47 0.00 -0.30 0.00 0.00 42.92 41.06 1a8r s ASP 79 CO 0.69 -0.20 1.05 -1.22 -0.17 0.00 0.00 175.17 175.32 1a8r n TYR 80 N 5.09 0.00 0.37 -5.34 4.02 -1.26 -1.09 117.16 118.95 1a8r n TYR 80 Ca -0.13 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.90 1a8r n TYR 80 Cb 0.50 -0.14 0.51 0.00 -0.02 0.00 0.00 39.34 40.19 1a8r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a8r h ALA 81 N 2.47 1.00 -0.69 -0.72 0.00 -1.92 -2.02 119.26 117.37 1a8r h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a8r h ALA 81 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a8r h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1a8r n ASN 82 N -2.62 3.87 -4.75 0.00 3.02 -0.25 -4.98 115.26 109.55 1a8r n ASN 82 Ca 0.02 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.16 1a8r n ASN 82 Cb 0.32 -0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 39.01 1a8r n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1a8r s PHE 83 N -1.03 2.93 0.53 3.10 5.36 -0.76 -4.94 117.98 123.16 1a8r s PHE 83 Ca 0.47 1.07 -0.22 0.00 -0.96 0.00 0.00 56.93 57.29 1a8r s PHE 83 Cb 0.25 -3.86 -0.05 0.00 -0.34 0.00 0.00 43.02 39.01 1a8r s PHE 83 CO 0.32 -2.72 1.34 -1.25 -1.46 0.00 0.00 175.22 171.45 1a8r s PRO 84 N -0.83 3.27 -0.31 10.12 0.04 -1.26 -4.94 135.00 141.09 1a8r s PRO 84 Ca 0.57 2.18 -0.29 0.00 0.04 0.00 0.00 61.00 63.51 1a8r s PRO 84 Cb -0.43 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1a8r s PRO 84 CO 0.48 -1.07 1.32 0.15 0.04 0.00 0.00 177.00 177.92 1a8r s LYS 85 N -2.84 3.87 0.08 4.56 1.02 -1.26 -4.95 119.74 120.22 1a8r s LYS 85 Ca 0.70 1.22 -0.25 0.00 0.02 0.00 0.00 55.97 57.65 1a8r s LYS 85 Cb -0.39 -3.90 -0.06 0.00 -0.52 0.00 0.00 37.83 32.96 1a8r s LYS 85 CO 0.46 -1.18 0.77 0.42 -0.92 0.00 0.00 175.35 174.91 1a8r s ILE 86 N 4.52 4.62 -0.00 2.17 -1.09 -1.26 -4.96 121.20 125.20 1a8r s ILE 86 Ca 0.57 1.66 0.04 0.00 -2.23 0.00 0.00 60.65 60.69 1a8r s ILE 86 Cb -0.16 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1a8r s ILE 86 CO 0.24 0.41 -0.11 0.42 -1.23 0.00 0.00 174.94 174.67 1a8r s THR 87 N -0.37 0.90 0.06 2.92 -4.23 -1.26 -5.08 115.64 108.57 1a8r s THR 87 Ca 0.38 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 1a8r s THR 87 Cb -0.21 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.83 1a8r s THR 87 CO 0.24 0.20 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.71 1a8r s LEU 88 N -0.40 2.40 0.13 4.79 1.43 -1.26 -1.59 118.68 124.18 1a8r s LEU 88 Ca 0.04 -0.81 0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1a8r s LEU 88 Cb -0.05 0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.17 1a8r s LEU 88 CO -0.00 -0.43 -0.12 0.27 0.23 0.00 0.00 176.35 176.30 1a8r s ILE 89 N -2.85 1.27 0.24 -0.59 -4.36 0.28 -4.94 121.20 110.25 1a8r s ILE 89 Ca 0.00 -1.86 -0.30 0.00 -0.26 0.00 0.00 60.65 58.23 1a8r s ILE 89 Cb 0.00 -1.66 -0.10 0.00 1.25 0.00 0.00 42.46 41.95 1a8r s ILE 89 CO -0.05 -0.55 1.53 -0.70 0.24 0.00 0.00 174.94 175.40 1a8r s GLU 90 N -3.11 4.21 -0.64 0.37 2.12 -1.26 -0.57 118.70 119.81 1a8r s GLU 90 Ca 0.12 2.41 -0.06 0.00 0.36 0.00 0.00 54.97 57.80 1a8r s GLU 90 Cb -0.02 -3.10 -0.12 0.00 0.26 0.00 0.00 34.13 31.15 1a8r s GLU 90 CO 0.02 -0.54 2.56 -1.71 -0.54 0.00 0.00 175.26 175.06 1a8r n ASN 91 N 2.77 5.15 0.27 -1.70 5.15 0.20 -4.46 115.26 122.63 1a8r n ASN 91 Ca 0.09 -2.32 0.13 0.00 -0.60 0.00 0.00 54.58 51.89 1a8r n ASN 91 Cb 0.39 -1.15 0.75 0.00 -0.53 0.00 0.00 39.78 39.24 1a8r n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1a8r h LYS 92 N 4.94 0.00 0.00 1.20 1.57 -1.89 -0.29 116.57 122.10 1a8r h LYS 92 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1a8r h LYS 92 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1a8r h LYS 92 CO 1.00 0.11 0.00 0.52 -0.57 0.00 0.00 179.45 180.50 1a8r h MET 93 N 0.00 0.00 -5.90 3.15 2.86 -1.99 -3.46 114.93 109.58 1a8r h MET 93 Ca -0.00 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.24 1a8r h MET 93 Cb 0.31 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.08 1a8r h MET 93 CO 0.01 0.00 -0.73 1.63 1.06 0.00 0.00 176.91 178.89 1a8r n LYS 94 N -2.73 -7.01 -2.46 1.72 5.02 -0.12 -4.92 118.16 107.65 1a8r n LYS 94 Ca 0.01 0.78 -0.43 0.00 -2.02 0.00 0.00 58.31 56.65 1a8r n LYS 94 Cb 0.25 -5.76 -0.02 0.00 -0.02 0.00 0.00 35.03 29.48 1a8r n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a8r s VAL 95 N -3.36 4.35 -0.17 -0.18 1.01 -1.26 -4.88 120.40 115.92 1a8r s VAL 95 Ca 0.42 1.63 0.15 0.00 0.00 0.00 0.00 61.98 64.18 1a8r s VAL 95 Cb -0.19 -4.05 0.43 0.00 0.00 0.00 0.00 36.38 32.57 1a8r s VAL 95 CO 0.75 -0.14 1.20 -0.90 0.00 0.00 0.00 175.10 176.01 1a8r n ASP 96 N 6.54 1.87 -4.28 3.32 5.75 -1.26 -4.16 116.55 124.33 1a8r n ASP 96 Ca 0.14 -3.32 -0.22 0.00 -0.01 0.00 0.00 54.79 51.37 1a8r n ASP 96 Cb 0.45 -0.45 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1a8r n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1a8r s GLU 97 N -2.48 1.11 0.43 0.11 0.41 -1.26 -4.95 118.70 112.07 1a8r s GLU 97 Ca 0.38 -1.20 -0.24 0.00 -0.41 0.00 0.00 54.97 53.50 1a8r s GLU 97 Cb 0.38 -1.25 -0.08 0.00 -1.78 0.00 0.00 34.13 31.40 1a8r s GLU 97 CO -0.08 0.28 1.22 0.00 -0.49 0.00 0.00 175.26 176.18 1a8r s MET 98 N -2.16 3.85 -0.18 1.61 0.23 -1.26 -4.25 119.30 117.13 1a8r s MET 98 Ca 0.08 1.93 -0.03 0.00 -1.03 0.00 0.00 55.69 56.64 1a8r s MET 98 Cb -0.09 -2.57 -0.02 0.00 -1.53 0.00 0.00 34.83 30.63 1a8r s MET 98 CO 0.04 -0.52 -0.06 0.08 -2.03 0.00 0.00 175.02 172.54 1a8r s VAL 99 N -1.41 3.47 -0.11 5.16 1.01 0.14 -4.92 120.40 123.74 1a8r s VAL 99 Ca 0.61 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1a8r s VAL 99 Cb -0.33 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1a8r s VAL 99 CO 0.41 0.46 -0.21 -0.89 0.00 0.00 0.00 175.10 174.87 1a8r s THR 100 N 0.95 2.36 -0.30 3.92 2.01 -1.26 -2.28 115.64 121.04 1a8r s THR 100 Ca -0.00 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 1a8r s THR 100 Cb -0.15 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.46 1a8r s THR 100 CO 0.01 0.55 0.03 -0.69 -0.69 0.00 0.00 174.62 173.82 1a8r s VAL 101 N 0.34 3.39 0.23 3.82 1.01 0.26 -4.99 120.40 124.46 1a8r s VAL 101 Ca -0.17 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 60.82 1a8r s VAL 101 Cb -0.17 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1a8r s VAL 101 CO 0.08 -0.00 0.14 0.00 0.00 0.00 0.00 175.10 175.32 1a8r s ARG 102 N 1.37 2.79 -1.31 2.72 1.70 -1.26 -0.96 118.95 123.99 1a8r s ARG 102 Ca -0.01 -1.08 -0.02 0.00 -0.47 0.00 0.00 55.73 54.15 1a8r s ARG 102 Cb -0.18 -2.50 0.01 0.00 -0.57 0.00 0.00 34.95 31.71 1a8r s ARG 102 CO -0.00 0.41 0.83 -0.25 -1.08 0.00 0.00 175.30 175.22 1a8r n ASP 103 N -0.91 -2.14 -4.68 -2.89 8.00 -1.07 -4.94 116.55 107.92 1a8r n ASP 103 Ca -0.08 -0.75 -0.43 0.00 0.71 0.00 0.00 54.79 54.25 1a8r n ASP 103 Cb 0.57 -4.35 -0.02 0.00 -0.02 0.00 0.00 41.12 37.30 1a8r n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a8r s ILE 104 N -3.53 4.52 0.11 0.53 1.01 0.10 -4.83 121.20 119.12 1a8r s ILE 104 Ca 0.12 1.82 -0.32 0.00 0.00 0.00 0.00 60.65 62.27 1a8r s ILE 104 Cb -0.06 -4.17 -0.12 0.00 0.01 0.00 0.00 42.46 38.12 1a8r s ILE 104 CO 0.79 -0.06 1.77 0.41 0.00 0.00 0.00 174.94 177.85 1a8r n THR 105 N 4.87 0.28 -4.01 2.92 -1.04 -1.26 -1.18 114.28 114.85 1a8r n THR 105 Ca 0.11 -0.05 -0.25 0.00 -2.04 0.00 0.00 64.05 61.82 1a8r n THR 105 Cb 0.47 -1.94 -0.17 0.00 -1.82 0.00 0.00 70.33 66.87 1a8r n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1a8r s LEU 106 N 2.36 1.18 -0.17 -4.42 0.20 -0.15 -4.77 118.68 112.91 1a8r s LEU 106 Ca 0.82 -0.26 0.01 0.00 0.69 0.00 0.00 54.13 55.39 1a8r s LEU 106 Cb -0.56 -0.75 0.02 0.00 -0.43 0.00 0.00 46.19 44.47 1a8r s LEU 106 CO 0.39 -0.10 -0.16 0.42 -0.29 0.00 0.00 176.35 176.61 1a8r s THR 107 N 1.52 1.78 0.28 3.68 -4.23 -1.26 -0.68 115.64 116.73 1a8r s THR 107 Ca 0.01 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 59.75 1a8r s THR 107 Cb -0.13 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 1a8r s THR 107 CO -0.05 0.44 0.18 -0.24 -0.54 0.00 0.00 174.62 174.40 1a8r n SER 108 N 4.70 0.14 -3.87 3.99 2.88 -0.36 -4.13 113.62 116.97 1a8r n SER 108 Ca -0.18 -2.69 -0.19 0.00 -1.33 0.00 0.00 58.87 54.47 1a8r n SER 108 Cb 0.49 1.10 -0.16 0.00 -0.75 0.00 0.00 64.21 64.89 1a8r n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1a8r s THR 109 N -2.92 0.43 0.37 2.46 2.01 -1.25 -0.98 115.64 115.75 1a8r s THR 109 Ca 0.25 -0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.95 1a8r s THR 109 Cb 0.01 -0.48 -0.09 0.00 0.01 0.00 0.00 72.50 71.95 1a8r s THR 109 CO 0.18 0.20 1.07 0.00 -0.69 0.00 0.00 174.62 175.38 1a8r h GLU 111 N 2.78 0.00 -0.39 0.00 4.11 -1.57 0.55 114.58 120.06 1a8r h GLU 111 Ca -0.48 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.82 1a8r h GLU 111 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1a8r h GLU 111 CO 0.63 0.00 -0.26 0.66 0.07 0.00 0.00 179.01 180.12 1a8r h SER 112 N 0.00 0.91 0.00 3.06 4.64 -1.92 -3.37 113.55 116.87 1a8r h SER 112 Ca 0.00 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1a8r h SER 112 Cb 0.79 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1a8r h SER 112 CO 0.00 1.14 0.00 1.41 -0.87 0.00 0.00 176.83 178.51 1a8r n HIS 113 N -4.18 0.00 -3.65 4.77 8.25 -1.25 -5.02 115.22 114.14 1a8r n HIS 113 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 1a8r n HIS 113 Cb 0.47 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.64 1a8r n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1a8r n PHE 114 N -0.08 -2.34 -4.38 4.41 3.01 0.18 -5.00 117.46 113.27 1a8r n PHE 114 Ca 0.00 0.93 -0.28 0.00 1.01 0.00 0.00 57.45 59.11 1a8r n PHE 114 Cb 0.07 -4.66 -0.12 0.00 -0.01 0.00 0.00 39.48 34.76 1a8r n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1a8r s VAL 115 N -3.41 2.54 0.25 -4.37 1.01 -1.22 -4.84 120.40 110.36 1a8r s VAL 115 Ca 0.30 -1.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.16 1a8r s VAL 115 Cb -0.14 -2.19 -0.15 0.00 0.00 0.00 0.00 36.38 33.89 1a8r s VAL 115 CO 0.77 -0.03 0.95 0.41 0.00 0.00 0.00 175.10 177.20 1a8r n THR 116 N 0.46 1.78 -3.91 3.92 -1.04 -1.26 -0.59 114.28 113.64 1a8r n THR 116 Ca -0.14 -0.45 -0.28 0.00 -2.04 0.00 0.00 64.05 61.14 1a8r n THR 116 Cb 0.55 -0.79 -0.17 0.00 -1.82 0.00 0.00 70.33 68.10 1a8r n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1a8r s ILE 117 N -0.88 1.13 -0.23 12.58 1.01 -0.16 -1.60 121.20 133.05 1a8r s ILE 117 Ca 0.62 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 1a8r s ILE 117 Cb -0.77 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.46 1a8r s ILE 117 CO 0.58 0.23 -0.03 -0.62 0.00 0.00 0.00 174.94 175.10 1a8r s ASP 118 N 1.64 4.38 0.17 3.58 2.15 -0.31 -1.23 116.67 127.04 1a8r s ASP 118 Ca 0.02 -0.51 -0.02 0.00 0.43 0.00 0.00 52.55 52.47 1a8r s ASP 118 Cb -0.14 -1.74 0.01 0.00 -0.30 0.00 0.00 42.92 40.75 1a8r s ASP 118 CO -0.08 -0.06 0.26 0.61 -0.17 0.00 0.00 175.17 175.73 1a8r n GLY 119 N 4.78 2.35 2.87 2.66 0.00 0.14 -0.68 105.19 117.32 1a8r n GLY 119 Ca -0.18 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 1a8r n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a8r s LYS 120 N -2.28 0.02 0.06 1.61 1.02 0.48 -0.98 119.74 119.67 1a8r s LYS 120 Ca 0.12 0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.27 1a8r s LYS 120 Cb -0.01 -0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 1a8r s LYS 120 CO 0.08 -0.06 -0.06 0.00 -0.92 0.00 0.00 175.35 174.39 1a8r s ALA 121 N 0.40 3.06 -0.13 5.17 0.00 -0.32 -1.11 121.76 128.83 1a8r s ALA 121 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1a8r s ALA 121 Cb -0.05 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.03 1a8r s ALA 121 CO -0.01 0.64 -0.11 0.99 0.00 0.00 0.00 175.76 177.27 1a8r s THR 122 N -1.14 1.31 -0.09 0.00 2.01 0.29 -0.72 115.64 117.29 1a8r s THR 122 Ca 0.21 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.76 1a8r s THR 122 Cb -0.11 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.14 1a8r s THR 122 CO 0.12 0.41 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.57 1a8r s VAL 123 N 1.49 1.80 0.11 3.82 1.01 -0.14 -1.42 120.40 127.08 1a8r s VAL 123 Ca 0.03 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.21 1a8r s VAL 123 Cb -0.13 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1a8r s VAL 123 CO -0.08 0.50 -0.17 0.00 0.00 0.00 0.00 175.10 175.35 1a8r s ALA 124 N 0.46 1.63 -0.01 5.51 0.00 -0.37 -0.57 121.76 128.41 1a8r s ALA 124 Ca -0.17 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 1a8r s ALA 124 Cb -0.17 -0.15 0.08 0.00 0.00 0.00 0.00 23.12 22.87 1a8r s ALA 124 CO 0.07 0.22 0.72 1.52 0.00 0.00 0.00 175.76 178.29 1a8r s TYR 125 N -1.64 -0.56 -0.27 0.00 1.13 -0.97 -0.50 117.35 114.54 1a8r s TYR 125 Ca 0.07 0.79 -0.08 0.00 -1.41 0.00 0.00 57.07 56.44 1a8r s TYR 125 Cb -0.08 0.46 -0.03 0.00 -1.10 0.00 0.00 41.96 41.22 1a8r s TYR 125 CO 0.04 -0.63 0.11 0.42 -2.51 0.00 0.00 175.55 172.98 1a8r s ILE 126 N -1.96 4.57 0.16 -3.49 1.01 -0.79 -0.68 121.20 120.02 1a8r s ILE 126 Ca -0.05 -0.14 -0.32 0.00 0.00 0.00 0.00 60.65 60.14 1a8r s ILE 126 Cb -0.00 -3.18 -0.10 0.00 0.01 0.00 0.00 42.46 39.19 1a8r s ILE 126 CO 0.02 0.27 1.59 -2.84 0.00 0.00 0.00 174.94 173.99 1a8r s PRO 127 N 1.65 4.20 0.00 2.79 0.02 -1.26 -4.86 135.00 137.54 1a8r s PRO 127 Ca 0.06 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1a8r s PRO 127 Cb -0.16 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1a8r s PRO 127 CO 0.06 -0.64 0.00 1.17 -0.33 0.00 0.00 177.00 177.26 1a8r n LYS 128 N 4.16 0.00 -0.02 5.54 4.81 -1.26 -4.52 118.16 126.87 1a8r n LYS 128 Ca 0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.58 1a8r n LYS 128 Cb 0.38 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.31 1a8r n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1a8r n ASP 129 N 0.00 0.41 -4.32 3.14 8.00 -1.26 -4.83 116.55 117.69 1a8r n ASP 129 Ca 0.00 0.18 -0.18 0.00 0.71 0.00 0.00 54.79 55.50 1a8r n ASP 129 Cb 0.00 0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 41.82 1a8r n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a8r s SER 130 N -5.41 2.39 -0.21 -2.24 1.04 -1.26 -0.63 113.70 107.37 1a8r s SER 130 Ca -0.06 -0.99 -0.01 0.00 0.48 0.00 0.00 55.95 55.37 1a8r s SER 130 Cb 0.09 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.11 1a8r s SER 130 CO 0.84 -0.19 -0.11 -0.69 0.98 0.00 0.00 173.24 174.07 1a8r s VAL 131 N -2.89 2.70 0.36 5.02 1.01 0.26 -4.71 120.40 122.15 1a8r s VAL 131 Ca 0.20 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 1a8r s VAL 131 Cb -0.01 -2.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 1a8r s VAL 131 CO 0.05 0.41 0.88 -0.51 0.00 0.00 0.00 175.10 175.93 1a8r s ILE 132 N 1.36 4.42 0.13 2.22 2.07 -1.26 -0.56 121.20 129.58 1a8r s ILE 132 Ca 0.04 1.45 -0.31 0.00 -1.41 0.00 0.00 60.65 60.41 1a8r s ILE 132 Cb -0.14 -3.74 -0.10 0.00 0.13 0.00 0.00 42.46 38.61 1a8r s ILE 132 CO -0.08 -0.12 1.64 -0.83 -1.91 0.00 0.00 174.94 173.65 1a8r s GLY 133 N -1.99 1.50 0.18 1.50 0.00 -0.62 -4.90 107.32 102.98 1a8r s GLY 133 Ca 0.55 1.35 -0.23 0.00 0.00 0.00 0.00 44.72 46.39 1a8r s GLY 133 CO 0.17 2.80 1.58 1.41 0.00 0.00 0.00 173.10 179.07 1a8r h LEU 134 N 7.60 -1.27 -2.13 0.66 3.38 -1.94 -0.25 115.31 121.36 1a8r h LEU 134 Ca -0.43 0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.84 1a8r h LEU 134 Cb 1.20 0.60 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1a8r h LEU 134 CO 0.93 -0.32 0.29 0.77 0.09 0.00 0.00 178.44 180.20 1a8r h SER 135 N -0.21 0.00 -0.13 -0.43 4.64 -2.00 -0.12 113.55 115.31 1a8r h SER 135 Ca 0.20 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 1a8r h SER 135 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1a8r h SER 135 CO -0.66 0.00 -0.06 0.11 -0.87 0.00 0.00 176.83 175.35 1a8r h LYS 136 N 0.00 0.42 -0.34 4.77 1.79 -1.41 0.82 116.57 122.62 1a8r h LYS 136 Ca 0.13 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1a8r h LYS 136 Cb 0.71 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 1a8r h LYS 136 CO -0.00 0.50 0.09 0.82 -1.08 0.00 0.00 179.45 179.77 1a8r h ILE 137 N 0.40 1.22 -0.29 1.86 2.04 -1.07 -0.07 117.51 121.60 1a8r h ILE 137 Ca 0.08 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1a8r h ILE 137 Cb 0.36 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1a8r h ILE 137 CO 0.02 0.25 0.17 0.78 0.00 0.00 0.00 178.15 179.37 1a8r h ASN 138 N 0.40 0.35 -0.25 1.72 2.35 -1.40 -1.22 115.58 117.52 1a8r h ASN 138 Ca 0.11 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1a8r h ASN 138 Cb 0.29 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1a8r h ASN 138 CO 0.00 0.30 0.03 0.03 -1.65 0.00 0.00 177.43 176.14 1a8r h ARG 139 N 0.37 0.53 -0.28 0.81 3.08 -0.66 -1.45 114.38 116.78 1a8r h ARG 139 Ca 0.10 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1a8r h ARG 139 Cb 0.02 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1a8r h ARG 139 CO -0.02 0.54 -0.44 0.82 -1.07 0.00 0.00 179.97 179.80 1a8r h ILE 140 N 0.52 1.29 0.11 2.04 2.04 -0.54 -0.12 117.51 122.84 1a8r h ILE 140 Ca 0.11 -1.63 0.01 0.00 1.00 0.00 0.00 64.86 64.36 1a8r h ILE 140 Cb 0.29 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1a8r h ILE 140 CO 0.01 0.53 -0.18 0.58 0.00 0.00 0.00 178.15 179.08 1a8r h VAL 141 N 0.56 0.59 0.00 1.67 2.07 -0.95 -2.26 116.25 117.93 1a8r h VAL 141 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1a8r h VAL 141 Cb 1.04 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1a8r h VAL 141 CO 0.10 0.00 -0.17 1.56 0.02 0.00 0.00 177.57 179.08 1a8r h GLN 142 N -0.35 0.00 0.48 1.57 1.08 -1.20 -1.78 115.11 114.92 1a8r h GLN 142 Ca 0.02 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1a8r h GLN 142 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1a8r h GLN 142 CO -0.10 0.17 -0.23 0.35 -0.95 0.00 0.00 178.83 178.07 1a8r h PHE 143 N 0.00 -0.60 0.00 2.96 3.57 -0.42 -1.90 116.94 120.56 1a8r h PHE 143 Ca -0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1a8r h PHE 143 Cb 0.33 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1a8r h PHE 143 CO 0.00 -0.33 -0.36 0.74 -2.23 0.00 0.00 178.31 176.12 1a8r h PHE 144 N -0.74 0.00 -0.36 0.41 0.04 -1.40 -3.12 116.94 111.77 1a8r h PHE 144 Ca -0.07 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.58 1a8r h PHE 144 Cb 0.54 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1a8r h PHE 144 CO -0.02 0.36 -0.29 0.00 -0.60 0.00 0.00 178.31 177.76 1a8r h ALA 145 N 1.64 0.80 0.00 2.45 0.00 -1.17 -3.32 119.26 119.66 1a8r h ALA 145 Ca -0.00 -0.40 -0.54 0.00 0.00 0.00 0.00 54.91 53.96 1a8r h ALA 145 Cb 0.81 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.48 1a8r h ALA 145 CO 0.05 0.65 3.04 1.04 0.00 0.00 0.00 179.25 184.02 1a8r n GLN 146 N -4.08 2.62 -3.46 0.00 1.13 -0.73 -4.15 117.38 108.71 1a8r n GLN 146 Ca -0.01 -1.87 -0.14 0.00 -1.94 0.00 0.00 57.00 53.04 1a8r n GLN 146 Cb 0.47 -2.72 -0.03 0.00 0.11 0.00 0.00 30.24 28.07 1a8r n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1a8r s ARG 147 N 3.19 1.20 -0.17 -1.09 0.52 -1.11 -1.51 118.95 119.98 1a8r s ARG 147 Ca 0.52 -0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 55.20 1a8r s ARG 147 Cb 0.14 0.56 -0.04 0.00 0.52 0.00 0.00 34.95 36.12 1a8r s ARG 147 CO -0.03 -0.48 1.79 -2.14 0.02 0.00 0.00 175.30 174.46 1a8r s PRO 148 N -2.93 3.75 0.41 3.54 0.02 -1.26 -3.86 135.00 134.67 1a8r s PRO 148 Ca -0.03 1.92 0.07 0.00 0.02 0.00 0.00 61.00 62.98 1a8r s PRO 148 Cb -0.01 -4.12 -0.07 0.00 0.02 0.00 0.00 34.50 30.33 1a8r s PRO 148 CO -0.06 -1.37 0.07 -0.65 -0.33 0.00 0.00 177.00 174.67 1a8r s GLN 149 N 4.92 2.06 -0.18 5.54 -1.52 0.16 -4.64 119.66 126.00 1a8r s GLN 149 Ca 0.80 -1.99 -0.02 0.00 -1.95 0.00 0.00 55.36 52.20 1a8r s GLN 149 Cb -0.30 -1.78 0.05 0.00 -0.22 0.00 0.00 33.01 30.76 1a8r s GLN 149 CO 0.32 -0.06 0.01 0.08 -0.25 0.00 0.00 175.29 175.39 1a8r s VAL 150 N -2.66 0.68 0.30 1.09 1.01 -1.26 -1.63 120.40 117.93 1a8r s VAL 150 Ca 0.37 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1a8r s VAL 150 Cb 0.07 -1.10 0.31 0.00 0.00 0.00 0.00 36.38 35.67 1a8r s VAL 150 CO 0.20 -0.12 1.66 -0.61 0.00 0.00 0.00 175.10 176.23 1a8r h GLN 151 N 8.21 0.26 -0.54 2.72 4.15 -1.98 -0.22 115.11 127.71 1a8r h GLN 151 Ca -0.18 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.28 1a8r h GLN 151 Cb 1.11 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.70 1a8r h GLN 151 CO 0.34 0.17 0.27 0.93 -1.93 0.00 0.00 178.83 178.62 1a8r h GLU 152 N 0.27 0.50 -0.18 1.69 3.07 -1.99 -1.02 114.58 116.92 1a8r h GLU 152 Ca 0.60 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.37 1a8r h GLU 152 Cb 1.24 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1a8r h GLU 152 CO -0.62 0.33 -0.10 -0.09 -1.40 0.00 0.00 179.01 177.13 1a8r h ARG 153 N 0.52 0.39 -0.69 2.33 2.43 -1.55 -3.03 114.38 114.78 1a8r h ARG 153 Ca 0.24 -0.18 0.14 0.00 -0.81 0.00 0.00 59.98 59.37 1a8r h ARG 153 Cb 0.16 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.61 1a8r h ARG 153 CO -0.18 0.70 0.20 1.25 -1.51 0.00 0.00 179.97 180.43 1a8r h LEU 154 N 0.07 0.09 -0.77 3.80 5.85 -0.59 0.25 115.31 124.02 1a8r h LEU 154 Ca 0.04 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1a8r h LEU 154 Cb 0.59 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1a8r h LEU 154 CO 0.03 0.02 0.39 0.74 -0.34 0.00 0.00 178.44 179.29 1a8r h THR 155 N 0.32 1.24 0.25 1.05 2.02 -1.18 -2.47 112.91 114.15 1a8r h THR 155 Ca 0.38 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1a8r h THR 155 Cb 0.59 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1a8r h THR 155 CO -0.44 0.28 -0.12 1.56 0.37 0.00 0.00 175.52 177.17 1a8r h GLN 156 N 1.08 -0.33 -0.70 6.66 1.08 -0.96 -2.50 115.11 119.44 1a8r h GLN 156 Ca 0.27 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.60 1a8r h GLN 156 Cb 0.08 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.51 1a8r h GLN 156 CO -0.04 -0.15 0.32 1.96 -0.95 0.00 0.00 178.83 179.97 1a8r h GLN 157 N -0.43 0.51 -0.39 1.46 4.20 -0.89 -0.82 115.11 118.75 1a8r h GLN 157 Ca -0.03 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1a8r h GLN 157 Cb 0.33 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1a8r h GLN 157 CO 0.06 0.34 0.13 0.82 -0.67 0.00 0.00 178.83 179.50 1a8r h ILE 158 N 0.52 1.21 0.58 2.54 2.04 -1.40 -0.52 117.51 122.49 1a8r h ILE 158 Ca 0.36 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1a8r h ILE 158 Cb 0.44 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1a8r h ILE 158 CO -0.31 0.24 -0.47 0.25 0.00 0.00 0.00 178.15 177.86 1a8r h LEU 159 N 0.48 -1.24 -0.11 1.44 5.85 -0.88 -0.10 115.31 120.74 1a8r h LEU 159 Ca 0.13 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1a8r h LEU 159 Cb 0.25 0.39 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1a8r h LEU 159 CO -0.00 -0.66 -0.23 0.40 -0.34 0.00 0.00 178.44 177.60 1a8r h ILE 160 N -1.02 0.44 -0.45 4.05 1.08 -1.17 0.91 117.51 121.35 1a8r h ILE 160 Ca -0.07 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.48 1a8r h ILE 160 Cb 0.86 0.44 -0.07 0.00 -3.07 0.00 0.00 36.82 34.99 1a8r h ILE 160 CO -0.00 0.00 0.04 0.00 -0.69 0.00 0.00 178.15 177.50 1a8r h ALA 161 N 0.65 0.45 -0.45 1.87 0.00 -0.96 0.45 119.26 121.27 1a8r h ALA 161 Ca 0.09 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1a8r h ALA 161 Cb 0.44 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1a8r h ALA 161 CO -0.29 -0.36 0.07 -0.07 0.00 0.00 0.00 179.25 178.61 1a8r h LEU 162 N 0.15 0.72 -0.17 0.00 3.38 -0.55 -1.40 115.31 117.44 1a8r h LEU 162 Ca 0.22 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1a8r h LEU 162 Cb 0.31 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1a8r h LEU 162 CO -0.34 0.80 -0.10 1.56 0.09 0.00 0.00 178.44 180.45 1a8r h GLN 163 N 0.62 -0.09 0.09 1.13 4.20 -0.14 0.30 115.11 121.21 1a8r h GLN 163 Ca 0.14 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.88 1a8r h GLN 163 Cb 0.38 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 1a8r h GLN 163 CO 0.01 -0.06 -0.43 1.15 -0.67 0.00 0.00 178.83 178.83 1a8r h THR 164 N -0.10 0.14 -0.32 -0.54 2.02 -0.76 0.25 112.91 113.62 1a8r h THR 164 Ca 0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 1a8r h THR 164 Cb 0.24 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1a8r h THR 164 CO -0.23 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.60 1a8r h LEU 165 N -0.64 0.45 0.00 2.58 3.38 -0.85 -2.96 115.31 117.27 1a8r h LEU 165 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1a8r h LEU 165 Cb 0.68 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1a8r h LEU 165 CO -0.27 0.52 -0.72 -0.07 0.09 0.00 0.00 178.44 177.99 1a8r h LEU 166 N 0.47 0.00 -0.55 1.67 3.38 -0.11 -3.48 115.31 116.69 1a8r h LEU 166 Ca 0.10 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 1a8r h LEU 166 Cb 0.30 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.11 1a8r h LEU 166 CO 0.01 0.01 -0.35 0.61 0.09 0.00 0.00 178.44 178.81 1a8r n GLY 167 N 1.17 0.13 3.35 0.83 0.00 0.86 -4.70 105.19 106.84 1a8r n GLY 167 Ca 0.01 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1a8r n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8r s THR 168 N -3.08 0.02 -0.92 2.61 2.01 -1.10 -4.90 115.64 110.29 1a8r s THR 168 Ca 0.26 -0.18 0.25 0.00 0.31 0.00 0.00 61.69 62.33 1a8r s THR 168 Cb -0.12 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.68 1a8r s THR 168 CO 0.33 -0.10 1.38 0.59 -0.69 0.00 0.00 174.62 176.13 1a8r n ASN 169 N 1.85 0.54 -4.08 3.53 3.02 -1.26 -4.33 115.26 114.52 1a8r n ASN 169 Ca -0.18 -0.19 -0.41 0.00 -0.03 0.00 0.00 54.58 53.78 1a8r n ASN 169 Cb 0.56 0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.99 1a8r n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a8r n ASN 170 N -1.63 3.96 -3.96 6.41 3.02 -1.26 -0.33 115.26 121.47 1a8r n ASN 170 Ca 0.05 -2.83 -0.12 0.00 -0.03 0.00 0.00 54.58 51.65 1a8r n ASN 170 Cb 0.36 -1.62 -0.13 0.00 -0.61 0.00 0.00 39.78 37.78 1a8r n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a8r s VAL 171 N 4.57 0.24 -0.02 2.41 1.01 -1.25 -1.88 120.40 125.48 1a8r s VAL 171 Ca 0.53 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1a8r s VAL 171 Cb 0.09 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.21 1a8r s VAL 171 CO 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 175.10 174.92 1a8r s ALA 172 N -0.69 0.32 -0.06 5.51 0.00 0.34 -0.13 121.76 127.06 1a8r s ALA 172 Ca -0.06 0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1a8r s ALA 172 Cb -0.05 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1a8r s ALA 172 CO -0.00 -0.01 -0.13 0.08 0.00 0.00 0.00 175.76 175.70 1a8r s VAL 173 N 0.57 1.18 -0.02 0.00 1.01 -0.21 -1.23 120.40 121.70 1a8r s VAL 173 Ca -0.06 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1a8r s VAL 173 Cb -0.09 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1a8r s VAL 173 CO -0.01 0.36 -0.07 -0.55 0.00 0.00 0.00 175.10 174.83 1a8r s SER 174 N 0.49 0.97 -0.06 3.32 0.15 -0.51 -0.05 113.70 118.00 1a8r s SER 174 Ca -0.11 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.40 1a8r s SER 174 Cb -0.14 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 63.95 1a8r s SER 174 CO 0.03 0.05 -0.08 -0.63 1.20 0.00 0.00 173.24 173.81 1a8r s ILE 175 N 0.18 0.83 -0.19 6.45 1.01 -0.01 -0.55 121.20 128.92 1a8r s ILE 175 Ca -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1a8r s ILE 175 Cb -0.07 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.58 1a8r s ILE 175 CO 0.00 0.30 -0.10 -0.62 0.00 0.00 0.00 174.94 174.52 1a8r s ASP 176 N 0.97 3.94 0.08 3.58 2.15 -0.27 -0.76 116.67 126.37 1a8r s ASP 176 Ca -0.10 -0.44 -0.08 0.00 0.43 0.00 0.00 52.55 52.36 1a8r s ASP 176 Cb -0.15 -1.64 -0.00 0.00 -0.30 0.00 0.00 42.92 40.83 1a8r s ASP 176 CO 0.00 0.03 0.18 0.00 -0.17 0.00 0.00 175.17 175.21 1a8r s ALA 177 N 1.16 -0.20 -0.17 3.66 0.00 0.25 -0.39 121.76 126.08 1a8r s ALA 177 Ca 0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1a8r s ALA 177 Cb -0.14 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1a8r s ALA 177 CO -0.03 -0.50 -0.08 0.08 0.00 0.00 0.00 175.76 175.23 1a8r s VAL 178 N -3.81 3.31 -0.29 0.00 1.01 0.15 -0.59 120.40 120.17 1a8r s VAL 178 Ca 0.05 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1a8r s VAL 178 Cb 0.05 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1a8r s VAL 178 CO -0.11 0.48 0.12 -1.00 0.00 0.00 0.00 175.10 174.59 1a8r s HIS 179 N 0.85 3.15 -0.38 5.22 3.76 -1.26 -1.17 115.29 125.45 1a8r s HIS 179 Ca -0.02 -0.55 0.25 0.00 -0.15 0.00 0.00 55.06 54.58 1a8r s HIS 179 Cb -0.15 -2.31 1.06 0.00 1.11 0.00 0.00 32.58 32.29 1a8r s HIS 179 CO 0.01 -0.43 1.74 1.88 -0.85 0.00 0.00 174.74 177.09 1a8r h TYR 180 N 8.30 0.00 0.00 1.40 0.05 -1.61 -0.12 116.97 125.00 1a8r h TYR 180 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1a8r h TYR 180 Cb 1.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.89 1a8r h TYR 180 CO 0.65 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.76 1a8r n VAL 182 N -1.48 1.09 0.01 0.00 0.31 -0.22 -4.35 118.33 113.69 1a8r n VAL 182 Ca 0.06 -0.39 -0.12 0.00 -0.01 0.00 0.00 64.34 63.88 1a8r n VAL 182 Cb 0.27 -1.28 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 1a8r n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1a8r h LYS 183 N -0.12 -0.10 -0.62 5.55 3.64 -1.00 -1.11 116.57 122.80 1a8r h LYS 183 Ca -0.44 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.85 1a8r h LYS 183 Cb 1.62 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.41 1a8r h LYS 183 CO -0.11 0.46 0.12 0.00 -2.27 0.00 0.00 179.45 177.64 1a8r n ALA 184 N -2.52 4.14 -3.74 5.00 0.00 -0.21 -3.75 120.51 119.43 1a8r n ALA 184 Ca -0.08 -2.16 -0.03 0.00 0.00 0.00 0.00 53.44 51.17 1a8r n ALA 184 Cb 0.30 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1a8r n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a8r s ARG 185 N -2.89 1.12 5.32 0.00 3.52 -1.24 -4.97 118.95 119.83 1a8r s ARG 185 Ca 0.54 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 1a8r s ARG 185 Cb 0.42 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 34.19 1a8r s ARG 185 CO 0.14 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 1a8r n GLY 186 N -0.48 2.93 0.25 8.12 0.00 -1.26 0.02 105.19 114.77 1a8r n GLY 186 Ca -0.06 0.30 0.17 0.00 0.00 0.00 0.00 46.02 46.43 1a8r n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a8r h ILE 187 N 0.00 0.00 -6.64 -0.61 6.09 -1.85 -3.47 117.51 111.03 1a8r h ILE 187 Ca 0.00 -0.27 -0.53 0.00 -1.37 0.00 0.00 64.86 62.70 1a8r h ILE 187 Cb 0.00 1.15 -0.08 0.00 0.47 0.00 0.00 36.82 38.36 1a8r h ILE 187 CO 0.00 0.00 -0.91 0.54 -3.07 0.00 0.00 178.15 174.71 1a8r n ARG 188 N -2.82 -2.53 -2.71 2.19 1.74 0.10 -4.90 116.66 107.74 1a8r n ARG 188 Ca -0.00 0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 56.97 1a8r n ARG 188 Cb 0.20 -4.21 -0.03 0.00 -1.02 0.00 0.00 32.46 27.39 1a8r n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a8r s ASP 189 N -4.31 6.35 0.19 0.55 -1.08 -0.51 -4.88 116.67 112.98 1a8r s ASP 189 Ca 0.04 -0.24 0.23 0.00 -0.52 0.00 0.00 52.55 52.06 1a8r s ASP 189 Cb -0.02 -2.49 0.91 0.00 -1.46 0.00 0.00 42.92 39.86 1a8r s ASP 189 CO 0.92 -1.41 1.70 0.00 0.52 0.00 0.00 175.17 176.90 1a8r n ALA 190 N 8.06 1.81 0.16 3.66 0.00 -1.26 -4.02 120.51 128.92 1a8r n ALA 190 Ca 0.04 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.57 1a8r n ALA 190 Cb 0.48 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 1a8r n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a8r n THR 191 N -2.09 0.00 -2.13 0.00 -2.24 -1.26 -5.05 114.28 101.51 1a8r n THR 191 Ca 0.03 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.24 1a8r n THR 191 Cb 0.26 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 1a8r n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a8r s SER 192 N -2.92 6.40 -0.01 3.42 1.04 -1.26 -5.09 113.70 115.28 1a8r s SER 192 Ca -0.02 1.47 -0.12 0.00 0.48 0.00 0.00 55.95 57.76 1a8r s SER 192 Cb 0.08 -2.48 0.02 0.00 0.10 0.00 0.00 66.02 63.73 1a8r s SER 192 CO 0.47 -0.73 0.25 0.00 0.98 0.00 0.00 173.24 174.20 1a8r s ALA 193 N -2.92 -0.62 -0.13 5.32 0.00 -1.26 -4.80 121.76 117.35 1a8r s ALA 193 Ca 0.56 0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 1a8r s ALA 193 Cb -0.11 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1a8r s ALA 193 CO 0.44 -0.24 -0.00 0.99 0.00 0.00 0.00 175.76 176.94 1a8r s THR 194 N -1.35 4.25 -0.13 0.00 2.01 0.24 -4.93 115.64 115.72 1a8r s THR 194 Ca -0.14 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1a8r s THR 194 Cb -0.06 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.62 1a8r s THR 194 CO 0.03 0.54 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.42 1a8r s THR 195 N -0.23 2.39 0.06 -0.82 2.01 -1.26 -0.58 115.64 117.22 1a8r s THR 195 Ca 0.05 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.24 1a8r s THR 195 Cb -0.12 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1a8r s THR 195 CO 0.02 0.54 -0.18 0.42 -0.69 0.00 0.00 174.62 174.73 1a8r s THR 196 N 0.63 1.43 0.03 -0.82 -4.23 0.06 -4.98 115.64 107.76 1a8r s THR 196 Ca -0.10 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 1a8r s THR 196 Cb -0.16 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 72.37 1a8r s THR 196 CO 0.03 0.03 -0.07 0.42 -0.54 0.00 0.00 174.62 174.49 1a8r s THR 197 N -0.96 0.46 -0.26 3.99 -4.23 -1.26 -0.83 115.64 112.54 1a8r s THR 197 Ca 0.04 -0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1a8r s THR 197 Cb -0.09 -0.50 0.08 0.00 1.34 0.00 0.00 72.50 73.33 1a8r s THR 197 CO 0.02 -0.28 0.08 -0.44 -0.54 0.00 0.00 174.62 173.45 1a8r s SER 198 N -1.23 3.55 -0.21 3.99 0.01 0.93 -4.96 113.70 115.78 1a8r s SER 198 Ca -0.08 -1.28 -0.11 0.00 1.31 0.00 0.00 55.95 55.79 1a8r s SER 198 Cb -0.08 -0.70 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 1a8r s SER 198 CO 0.00 -0.37 0.18 -0.76 0.41 0.00 0.00 173.24 172.70 1a8r s LEU 199 N 1.77 4.18 0.23 2.44 1.43 -1.26 -1.05 118.68 126.42 1a8r s LEU 199 Ca 0.05 0.26 0.11 0.00 -1.03 0.00 0.00 54.13 53.52 1a8r s LEU 199 Cb -0.17 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1a8r s LEU 199 CO -0.20 0.12 -0.15 -0.83 0.23 0.00 0.00 176.35 175.52 1a8r s GLY 200 N 0.63 1.76 0.00 -3.19 0.00 0.82 -4.49 107.32 102.85 1a8r s GLY 200 Ca 0.10 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1a8r s GLY 200 CO 0.01 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 171.99 1a8r n GLY 201 N -0.29 2.95 0.33 0.20 0.00 0.55 -1.17 105.19 107.76 1a8r n GLY 201 Ca -0.09 0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.13 1a8r n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a8r h LEU 202 N 0.00 0.00 -1.45 0.99 3.38 -1.94 0.27 115.31 116.57 1a8r h LEU 202 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1a8r h LEU 202 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1a8r h LEU 202 CO 0.00 0.00 -0.18 -0.26 0.09 0.00 0.00 178.44 178.09 1a8r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.40 0.24 116.94 116.95 1a8r h PHE 203 Ca 0.11 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.63 1a8r h PHE 203 Cb 0.50 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 1a8r h PHE 203 CO 0.00 0.18 -1.56 1.17 -0.60 0.00 0.00 178.31 177.50 1a8r n LYS 204 N -3.47 0.55 0.34 1.51 3.00 0.06 -4.19 118.16 115.96 1a8r n LYS 204 Ca -0.01 0.41 -0.13 0.00 -0.00 0.00 0.00 58.31 58.58 1a8r n LYS 204 Cb 0.35 -1.61 -0.06 0.00 0.00 0.00 0.00 35.03 33.71 1a8r n LYS 204 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1a8r h SER 205 N -1.00 -0.75 -3.49 3.14 0.02 -0.54 -3.43 113.55 107.50 1a8r h SER 205 Ca -0.37 0.03 -0.60 0.00 -0.84 0.00 0.00 61.79 60.00 1a8r h SER 205 Cb 1.25 0.19 -0.10 0.00 0.14 0.00 0.00 62.40 63.88 1a8r h SER 205 CO -0.23 -0.42 0.51 -0.55 -1.14 0.00 0.00 176.83 175.01 1a8r s SER 206 N -4.14 6.65 0.43 3.07 0.15 0.85 -4.92 113.70 115.79 1a8r s SER 206 Ca -0.13 0.54 0.09 0.00 0.70 0.00 0.00 55.95 57.15 1a8r s SER 206 Cb 0.01 -2.44 0.94 0.00 -1.71 0.00 0.00 66.02 62.82 1a8r s SER 206 CO 0.39 -0.78 2.08 -0.61 1.20 0.00 0.00 173.24 175.51 1a8r h GLN 207 N 8.41 0.44 0.32 5.44 4.15 -1.84 0.16 115.11 132.19 1a8r h GLN 207 Ca -0.24 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.16 1a8r h GLN 207 Cb 1.09 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.65 1a8r h GLN 207 CO 0.95 0.29 -0.32 -0.97 -1.93 0.00 0.00 178.83 176.84 1a8r h ASN 208 N 0.45 -0.88 -0.27 -0.69 -1.24 -1.91 -0.40 115.58 110.64 1a8r h ASN 208 Ca 0.13 0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 1a8r h ASN 208 Cb -0.04 0.30 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 1a8r h ASN 208 CO -0.03 -0.46 0.08 0.74 -1.29 0.00 0.00 177.43 176.47 1a8r h THR 209 N -0.67 1.21 0.05 -3.57 2.02 -1.65 -2.67 112.91 107.63 1a8r h THR 209 Ca -0.02 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.51 1a8r h THR 209 Cb 0.62 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 1a8r h THR 209 CO -0.07 0.22 -0.50 -0.09 0.37 0.00 0.00 175.52 175.45 1a8r h ARG 210 N 0.27 -0.66 0.00 6.66 2.43 -0.51 -2.15 114.38 120.42 1a8r h ARG 210 Ca 0.09 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1a8r h ARG 210 Cb 0.26 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1a8r h ARG 210 CO -0.00 -0.44 -0.14 0.45 -1.51 0.00 0.00 179.97 178.32 1a8r h HIS 211 N -0.69 0.00 -0.44 2.20 3.86 -1.09 -0.50 115.15 118.49 1a8r h HIS 211 Ca 0.01 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1a8r h HIS 211 Cb 0.72 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.18 1a8r h HIS 211 CO -0.47 0.14 0.07 0.93 0.86 0.00 0.00 177.93 179.47 1a8r h GLU 212 N 0.00 0.73 0.40 2.45 5.08 -1.06 0.30 114.58 122.48 1a8r h GLU 212 Ca -0.00 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1a8r h GLU 212 Cb 0.42 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1a8r h GLU 212 CO 0.02 0.76 -0.19 0.35 -1.00 0.00 0.00 179.01 178.95 1a8r h PHE 213 N 0.59 -0.50 -0.80 4.33 3.57 -0.77 -2.30 116.94 121.07 1a8r h PHE 213 Ca 0.13 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.72 1a8r h PHE 213 Cb 0.39 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.22 1a8r h PHE 213 CO 0.03 -0.18 0.44 -0.07 -2.23 0.00 0.00 178.31 176.30 1a8r h LEU 214 N -0.83 0.61 -0.41 0.59 3.38 -1.06 -1.09 115.31 116.50 1a8r h LEU 214 Ca -0.05 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1a8r h LEU 214 Cb 0.54 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1a8r h LEU 214 CO 0.09 0.34 0.27 -0.09 0.09 0.00 0.00 178.44 179.13 1a8r h ARG 215 N 0.73 0.53 -0.03 1.13 2.43 -0.95 -2.18 114.38 116.04 1a8r h ARG 215 Ca 0.39 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1a8r h ARG 215 Cb 0.40 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1a8r h ARG 215 CO -0.26 0.35 0.02 0.00 -1.51 0.00 0.00 179.97 178.56 1a8r h ALA 216 N 1.16 1.98 -2.87 2.80 0.00 -0.63 -3.44 119.26 118.26 1a8r h ALA 216 Ca 0.15 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.53 1a8r h ALA 216 Cb -0.04 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 17.82 1a8r h ALA 216 CO -0.04 0.02 0.80 0.08 0.00 0.00 0.00 179.25 180.11 1a8r s VAL 217 N -5.10 2.19 -0.24 0.00 1.01 -0.68 -4.33 120.40 113.24 1a8r s VAL 217 Ca -0.05 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1a8r s VAL 217 Cb 0.17 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1a8r s VAL 217 CO 0.67 0.03 0.03 -1.14 0.00 0.00 0.00 175.10 174.70 1a8r n ARG 218 N 1.32 -2.56 -3.86 2.72 3.00 -1.26 -5.03 116.66 110.99 1a8r n ARG 218 Ca 0.04 2.18 -0.30 0.00 -0.00 0.00 0.00 57.85 59.77 1a8r n ARG 218 Cb 0.39 -4.30 -0.15 0.00 0.00 0.00 0.00 32.46 28.39 1a8r n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1a8r s HIS 219 N -1.29 2.34 -0.34 -0.14 3.76 -1.26 -5.09 115.29 113.28 1a8r s HIS 219 Ca 0.01 -1.99 -0.35 0.00 -0.15 0.00 0.00 55.06 52.59 1a8r s HIS 219 Cb -0.00 -1.92 -0.11 0.00 1.11 0.00 0.00 32.58 31.65 1a8r s HIS 219 CO 0.58 -0.85 2.18 0.72 -0.85 0.00 0.00 174.74 176.52 1a8r n HIS 220 N 4.67 1.63 -0.19 1.40 8.25 -1.26 -5.04 115.22 124.69 1a8r n HIS 220 Ca -0.04 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1a8r n HIS 220 Cb 0.43 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 29.00 1a8r n HIS 220 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07