#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 -4.78 3.54 2.88 -1.26 -5.15 113.62 108.85 1a8r n SER 2 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1a8r n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 3.90 1.01 2.46 1.43 -1.26 -5.02 118.68 121.19 1a8r s LEU 3 Ca 0.00 2.15 -0.13 0.00 -1.03 0.00 0.00 54.13 55.12 1a8r s LEU 3 Cb 0.00 -4.42 0.19 0.00 0.03 0.00 0.00 46.19 41.99 1a8r s LEU 3 CO 0.00 -0.94 1.10 -0.94 0.23 0.00 0.00 176.35 175.80 1a8r s SER 4 N -1.66 2.56 0.14 2.29 1.04 -1.26 -4.80 113.70 112.01 1a8r s SER 4 Ca 0.67 1.12 -0.17 0.00 0.48 0.00 0.00 55.95 58.04 1a8r s SER 4 Cb -0.23 -1.76 -0.02 0.00 0.10 0.00 0.00 66.02 64.11 1a8r s SER 4 CO 0.28 -3.16 1.78 0.11 0.98 0.00 0.00 173.24 173.22 1a8r h LYS 5 N -1.91 0.46 -0.13 4.02 1.57 -1.99 -1.63 116.57 116.95 1a8r h LYS 5 Ca -0.54 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.20 1a8r h LYS 5 Cb 1.33 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1a8r h LYS 5 CO 0.58 0.34 0.08 0.93 -0.57 0.00 0.00 179.45 180.80 1a8r h GLU 6 N 0.45 0.17 -0.50 3.15 3.07 -1.97 -0.90 114.58 118.05 1a8r h GLU 6 Ca 0.12 -0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.04 1a8r h GLU 6 Cb -0.01 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 27.80 1a8r h GLU 6 CO -0.02 0.16 0.15 0.00 -1.40 0.00 0.00 179.01 177.89 1a8r h ALA 7 N 1.01 0.60 0.56 3.43 0.00 -1.87 -0.22 119.26 122.76 1a8r h ALA 7 Ca 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1a8r h ALA 7 Cb 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1a8r h ALA 7 CO -0.01 -0.25 -0.33 0.00 0.00 0.00 0.00 179.25 178.66 1a8r h ALA 8 N 1.36 -0.84 0.02 0.00 0.00 -0.96 -1.38 119.26 117.46 1a8r h ALA 8 Ca 0.25 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1a8r h ALA 8 Cb 0.29 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1a8r h ALA 8 CO -0.28 -0.98 -0.23 -0.07 0.00 0.00 0.00 179.25 177.69 1a8r h LEU 9 N -0.83 -0.68 -0.23 0.00 3.38 -0.88 -0.54 115.31 115.53 1a8r h LEU 9 Ca -0.07 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1a8r h LEU 9 Cb 0.67 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1a8r h LEU 9 CO 0.08 -0.30 -0.14 0.58 0.09 0.00 0.00 178.44 178.74 1a8r h VAL 10 N -0.37 0.58 -0.96 1.22 2.07 -1.03 0.12 116.25 117.87 1a8r h VAL 10 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1a8r h VAL 10 Cb 0.45 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1a8r h VAL 10 CO -0.20 0.00 0.62 -0.74 0.02 0.00 0.00 177.57 177.27 1a8r h HIS 11 N -0.13 1.15 0.54 1.57 -0.00 -1.02 -0.74 115.15 116.52 1a8r h HIS 11 Ca 0.13 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.50 1a8r h HIS 11 Cb 0.32 -0.38 0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1a8r h HIS 11 CO -0.31 0.62 -0.26 0.93 -0.00 0.00 0.00 177.93 178.91 1a8r h GLU 12 N 1.15 -0.70 -0.56 5.26 5.08 -0.10 -1.69 114.58 123.01 1a8r h GLU 12 Ca 0.40 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.92 1a8r h GLU 12 Cb 0.11 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 1a8r h GLU 12 CO -0.15 -0.45 -0.01 0.00 -1.00 0.00 0.00 179.01 177.39 1a8r h ALA 13 N -0.30 0.53 -0.51 3.43 0.00 -0.26 0.99 119.26 123.13 1a8r h ALA 13 Ca -0.07 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1a8r h ALA 13 Cb 0.57 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1a8r h ALA 13 CO 0.12 -0.39 0.23 -0.07 0.00 0.00 0.00 179.25 179.14 1a8r h LEU 14 N 0.11 0.68 -0.79 0.00 3.38 -1.06 -1.22 115.31 116.42 1a8r h LEU 14 Ca 0.29 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1a8r h LEU 14 Cb 0.45 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1a8r h LEU 14 CO -0.48 0.64 0.43 0.58 0.09 0.00 0.00 178.44 179.70 1a8r h VAL 15 N 0.68 1.23 -0.30 1.22 2.07 -0.33 0.14 116.25 120.97 1a8r h VAL 15 Ca 0.17 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1a8r h VAL 15 Cb 0.15 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1a8r h VAL 15 CO -0.02 0.26 0.14 0.00 0.02 0.00 0.00 177.57 177.97 1a8r h ALA 16 N 1.22 0.37 -0.01 1.67 0.00 -0.47 -1.75 119.26 120.28 1a8r h ALA 16 Ca 0.28 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1a8r h ALA 16 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a8r h ALA 16 CO -0.04 -0.25 0.00 0.54 0.00 0.00 0.00 179.25 179.50 1a8r n ARG 17 N -4.97 1.10 -2.14 0.00 3.00 -0.49 -4.89 116.66 108.27 1a8r n ARG 17 Ca -0.00 -0.14 -0.17 0.00 -0.01 0.00 0.00 57.85 57.52 1a8r n ARG 17 Cb 0.08 -1.40 -0.02 0.00 0.00 0.00 0.00 32.46 31.12 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 0.92 0.14 0.42 -0.13 0.00 -0.25 -4.89 105.19 101.41 1a8r n GLY 18 Ca 0.19 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.38 1.74 -4.75 0.99 4.77 0.33 -4.99 117.00 112.71 1a8r n LEU 19 Ca -0.20 -0.61 -0.38 0.00 -0.03 0.00 0.00 56.01 54.79 1a8r n LEU 19 Cb 0.64 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.73 1a8r n LEU 19 CO 0.25 0.32 0.97 -1.61 -1.33 0.00 0.00 177.39 175.99 1a8r s GLU 20 N -2.48 3.23 0.26 3.23 0.41 -1.22 -4.83 118.70 117.30 1a8r s GLU 20 Ca 0.20 2.20 -0.30 0.00 -0.41 0.00 0.00 54.97 56.66 1a8r s GLU 20 Cb 0.18 -2.29 -0.10 0.00 -1.78 0.00 0.00 34.13 30.15 1a8r s GLU 20 CO 0.56 -1.11 1.32 0.99 -0.49 0.00 0.00 175.26 176.53 1a8r s THR 21 N -1.32 2.95 -0.78 3.63 2.01 -1.26 -4.81 115.64 116.05 1a8r s THR 21 Ca 0.70 0.85 -0.17 0.00 0.31 0.00 0.00 61.69 63.38 1a8r s THR 21 Cb -0.39 -3.54 -0.19 0.00 0.01 0.00 0.00 72.50 68.38 1a8r s THR 21 CO 0.47 0.16 2.05 -2.65 -0.69 0.00 0.00 174.62 173.96 1a8r n PRO 22 N 1.81 0.21 -4.87 4.92 -0.02 -1.26 -4.87 135.00 130.92 1a8r n PRO 22 Ca 0.03 -0.65 -0.25 0.00 -2.02 0.00 0.00 63.50 60.61 1a8r n PRO 22 Cb 0.42 -2.56 -0.15 0.00 -0.02 0.00 0.00 33.50 31.19 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 8.84 2.03 0.03 2.45 2.96 -1.26 -5.14 118.68 128.59 1a8r s LEU 23 Ca 0.86 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.33 1a8r s LEU 23 Cb -0.29 -0.93 -0.06 0.00 0.50 0.00 0.00 46.19 45.41 1a8r s LEU 23 CO 0.23 0.22 0.38 -0.13 -1.32 0.00 0.00 176.35 175.72 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 0.24 -0.17 0.00 -0.52 0.00 0.00 55.73 55.34 1a8r s ARG 24 Cb -0.07 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 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 1.39 0.91 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.26 1a8r n PRO 25 Ca -0.12 0.37 -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 31.50 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 -1.72 0.37 -0.15 0.52 -0.02 -1.26 -4.77 135.00 127.96 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 -2.87 -1.45 2.07 -2.04 -3.43 116.25 117.23 1a8r h VAL 27 Ca -0.02 -0.72 -0.14 0.00 0.82 0.00 0.00 66.70 66.64 1a8r h VAL 27 Cb 1.10 0.54 -0.26 0.00 -1.52 0.00 0.00 31.29 31.15 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 -5.35 -0.42 -1.48 1.57 3.76 -1.26 -5.05 115.29 107.06 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 0.15 0.02 0.00 1.11 0.00 0.00 32.58 34.02 1a8r s HIS 28 CO 0.80 -0.22 2.48 0.39 -0.85 0.00 0.00 174.74 177.34 1a8r n GLU 29 N 3.41 3.56 -3.34 1.40 1.02 -1.26 -4.93 120.64 120.51 1a8r n GLU 29 Ca -0.17 -2.72 -0.38 0.00 -0.02 0.00 0.00 57.16 53.87 1a8r n GLU 29 Cb 0.56 -2.95 -0.06 0.00 -0.02 0.00 0.00 31.44 28.98 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 1.71 4.22 0.32 3.49 1.75 -1.26 -5.03 119.30 124.50 1a8r s MET 30 Ca 0.56 0.52 -0.29 0.00 -1.25 0.00 0.00 55.69 55.22 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 0.37 1.57 0.34 -0.65 0.00 0.00 175.02 176.59 1a8r s ASP 31 N -0.10 6.34 0.41 1.11 -1.08 -1.26 -4.89 116.67 117.21 1a8r s ASP 31 Ca 0.27 3.01 0.24 0.00 -0.52 0.00 0.00 52.55 55.54 1a8r s ASP 31 Cb -0.16 -2.65 1.26 0.00 -1.46 0.00 0.00 42.92 39.91 1a8r s ASP 31 CO 0.13 -0.92 1.69 0.78 0.52 0.00 0.00 175.17 177.37 1a8r h ASN 32 N 4.27 0.35 -0.83 -0.34 4.21 -2.00 -1.27 115.58 119.97 1a8r h ASN 32 Ca -0.48 0.12 0.06 0.00 1.21 0.00 0.00 56.30 57.21 1a8r h ASN 32 Cb 1.23 0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 38.45 1a8r h ASN 32 CO 0.75 -0.06 0.54 -0.33 -1.29 0.00 0.00 177.43 177.04 1a8r h GLU 33 N 0.24 0.89 -0.27 0.81 5.08 -1.99 0.95 114.58 120.29 1a8r h GLU 33 Ca 0.71 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.86 1a8r h GLU 33 Cb 2.03 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 1a8r h GLU 33 CO -0.38 0.59 -0.45 1.15 -1.00 0.00 0.00 179.01 178.92 1a8r h THR 34 N 0.91 1.29 0.11 1.13 2.02 -1.60 -0.65 112.91 116.14 1a8r h THR 34 Ca 0.36 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 1a8r h THR 34 Cb 0.22 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1a8r h THR 34 CO -0.13 0.53 -0.05 0.03 0.37 0.00 0.00 175.52 176.27 1a8r h ARG 35 N 0.53 -0.14 -0.80 6.66 3.08 -1.38 0.20 114.38 122.52 1a8r h ARG 35 Ca 0.02 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.17 1a8r h ARG 35 Cb 1.05 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.06 1a8r h ARG 35 CO 0.10 -0.08 0.46 0.87 -1.07 0.00 0.00 179.97 180.25 1a8r h LYS 36 N -0.16 0.76 -0.57 0.04 1.57 -0.74 0.25 116.57 117.71 1a8r h LYS 36 Ca -0.02 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1a8r h LYS 36 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1a8r h LYS 36 CO 0.02 0.50 -0.01 0.66 -0.57 0.00 0.00 179.45 180.06 1a8r h SER 37 N 0.78 0.97 -0.14 0.86 4.64 -0.72 0.12 113.55 120.06 1a8r h SER 37 Ca 0.38 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1a8r h SER 37 Cb 0.33 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1a8r h SER 37 CO -0.24 1.03 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.66 1a8r h LEU 38 N 0.91 0.26 -0.08 5.97 3.38 0.40 -1.61 115.31 124.55 1a8r h LEU 38 Ca 0.16 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1a8r h LEU 38 Cb 0.54 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1a8r h LEU 38 CO 0.03 0.54 -0.01 0.40 0.09 0.00 0.00 178.44 179.49 1a8r h ILE 39 N -0.03 0.93 -0.98 1.22 2.04 -0.45 -1.37 117.51 118.86 1a8r h ILE 39 Ca 0.04 -0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.04 1a8r h ILE 39 Cb 0.42 0.92 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 1a8r h ILE 39 CO 0.01 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.78 1a8r h ALA 40 N 1.07 1.63 0.46 1.87 0.00 -0.70 0.03 119.26 123.61 1a8r h ALA 40 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1a8r h ALA 40 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1a8r h ALA 40 CO -0.07 0.10 -0.22 0.78 0.00 0.00 0.00 179.25 179.84 1a8r h GLY 41 N 0.88 -0.64 0.34 0.00 0.00 -0.26 0.29 103.07 103.68 1a8r h GLY 41 Ca 0.51 0.24 0.10 0.00 0.00 0.00 0.00 47.33 48.18 1a8r h GLY 41 CO -0.28 -0.23 0.24 0.45 0.00 0.00 0.00 176.54 176.72 1a8r h HIS 42 N -0.63 0.41 -0.86 5.60 -0.00 -0.38 -0.36 115.15 118.94 1a8r h HIS 42 Ca -0.06 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1a8r h HIS 42 Cb 0.48 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 1a8r h HIS 42 CO -0.04 0.09 0.48 0.52 -0.00 0.00 0.00 177.93 178.98 1a8r h MET 43 N 0.42 1.19 -0.76 2.45 2.86 -0.71 -1.11 114.93 119.26 1a8r h MET 43 Ca 0.33 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1a8r h MET 43 Cb 0.42 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1a8r h MET 43 CO -0.33 0.86 0.50 1.15 1.06 0.00 0.00 176.91 180.16 1a8r h THR 44 N 1.20 1.19 0.20 2.22 2.02 0.68 -0.76 112.91 119.66 1a8r h THR 44 Ca 0.30 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1a8r h THR 44 Cb 0.01 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1a8r h THR 44 CO -0.05 0.19 -0.10 -0.33 0.37 0.00 0.00 175.52 175.60 1a8r h GLU 45 N 1.03 -0.26 -0.25 6.66 4.39 -0.46 -1.60 114.58 124.09 1a8r h GLU 45 Ca 0.28 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.05 1a8r h GLU 45 Cb -0.12 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.53 1a8r h GLU 45 CO -0.06 -0.12 -0.14 0.82 -1.16 0.00 0.00 179.01 178.36 1a8r h ILE 46 N -0.34 0.59 -0.65 3.13 2.04 -0.94 0.19 117.51 121.53 1a8r h ILE 46 Ca -0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1a8r h ILE 46 Cb 0.26 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1a8r h ILE 46 CO 0.05 0.00 0.43 0.24 0.00 0.00 0.00 178.15 178.86 1a8r h MET 47 N -0.11 0.73 -0.34 2.37 2.86 -1.04 0.50 114.93 119.89 1a8r h MET 47 Ca 0.13 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.57 1a8r h MET 47 Cb 0.32 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1a8r h MET 47 CO -0.32 0.48 -0.43 1.96 1.06 0.00 0.00 176.91 179.67 1a8r h GLN 48 N 0.75 0.86 0.00 1.72 4.20 -0.21 -0.18 115.11 122.26 1a8r h GLN 48 Ca 0.26 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1a8r h GLN 48 Cb 0.10 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1a8r h GLN 48 CO -0.07 1.11 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.06 1a8r h LEU 49 N 0.69 0.00 -1.05 1.46 3.38 0.13 0.28 115.31 120.21 1a8r h LEU 49 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1a8r h LEU 49 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1a8r h LEU 49 CO 0.10 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.88 1a8r n LEU 50 N -3.92 1.60 -2.70 1.67 4.77 -0.05 -4.93 117.00 113.45 1a8r n LEU 50 Ca -0.03 -0.59 -0.21 0.00 -0.03 0.00 0.00 56.01 55.15 1a8r n LEU 50 Cb 0.16 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1a8r n LEU 50 CO 0.30 0.30 -0.11 0.59 -1.33 0.00 0.00 177.39 177.13 1a8r n ASN 51 N 0.26 -5.99 -4.78 -1.43 3.02 0.98 -4.98 115.26 102.34 1a8r n ASN 51 Ca 0.18 -0.17 -0.39 0.00 -0.03 0.00 0.00 54.58 54.17 1a8r n ASN 51 Cb 0.35 -4.89 -0.06 0.00 -0.61 0.00 0.00 39.78 34.57 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 -6.29 4.56 -0.93 3.41 1.43 -0.13 -4.98 118.68 115.74 1a8r s LEU 52 Ca 0.17 1.66 -0.23 0.00 -1.03 0.00 0.00 54.13 54.70 1a8r s LEU 52 Cb -0.07 -3.40 0.07 0.00 0.03 0.00 0.00 46.19 42.81 1a8r s LEU 52 CO 0.21 0.17 1.32 -0.62 0.23 0.00 0.00 176.35 177.65 1a8r s ASP 53 N -1.24 6.45 0.00 2.29 2.15 -1.26 -4.59 116.67 120.48 1a8r s ASP 53 Ca 0.38 -1.40 0.04 0.00 0.43 0.00 0.00 52.55 52.00 1a8r s ASP 53 Cb -0.22 -2.52 0.24 0.00 -0.30 0.00 0.00 42.92 40.12 1a8r s ASP 53 CO 0.26 -1.45 0.87 0.18 -0.17 0.00 0.00 175.17 174.85 1a8r n LEU 54 N 8.35 0.00 0.12 -1.34 4.77 -1.26 -1.33 117.00 126.31 1a8r n LEU 54 Ca 0.24 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.38 1a8r n LEU 54 Cb 0.50 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1a8r n LEU 54 CO 0.63 -0.14 0.41 0.00 -1.33 0.00 0.00 177.39 176.97 1a8r h ALA 55 N 2.24 0.62 -2.75 -1.18 0.00 -1.94 -3.27 119.26 112.99 1a8r h ALA 55 Ca 0.00 -0.55 -0.53 0.00 0.00 0.00 0.00 54.91 53.83 1a8r h ALA 55 Cb 0.02 -0.10 0.06 0.00 0.00 0.00 0.00 17.79 17.77 1a8r h ALA 55 CO 0.00 0.75 0.77 0.34 0.00 0.00 0.00 179.25 181.12 1a8r s ASP 56 N -6.51 6.63 0.40 0.00 2.15 -0.45 -4.80 116.67 114.09 1a8r s ASP 56 Ca 0.03 2.69 0.15 0.00 0.43 0.00 0.00 52.55 55.85 1a8r s ASP 56 Cb 0.08 -2.62 1.02 0.00 -0.30 0.00 0.00 42.92 41.10 1a8r s ASP 56 CO 0.76 -0.72 1.86 -2.24 -0.17 0.00 0.00 175.17 174.66 1a8r h ASP 57 N 5.08 0.46 0.96 -0.34 2.03 -1.89 0.13 116.42 122.84 1a8r h ASP 57 Ca -0.46 0.04 -0.06 0.00 -0.73 0.00 0.00 57.03 55.82 1a8r h ASP 57 Cb 1.22 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.66 1a8r h ASP 57 CO 0.78 0.20 -0.28 -1.28 -1.03 0.00 0.00 179.24 177.63 1a8r h SER 58 N 0.47 0.00 0.00 4.15 0.87 -1.95 -3.31 113.55 113.78 1a8r h SER 58 Ca 0.45 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.83 1a8r h SER 58 Cb 1.03 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 1a8r h SER 58 CO -0.18 0.28 -2.03 0.18 -0.53 0.00 0.00 176.83 174.56 1a8r n LEU 59 N -3.42 0.00 -0.33 2.23 4.77 -0.15 -4.65 117.00 115.45 1a8r n LEU 59 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.09 1a8r n LEU 59 Cb 0.47 0.24 0.22 0.00 -2.33 0.00 0.00 43.42 42.03 1a8r n LEU 59 CO 0.35 0.24 0.77 -0.03 -1.33 0.00 0.00 177.39 177.39 1a8r h MET 60 N 0.00 0.02 -0.02 3.23 4.05 -0.88 -0.53 114.93 120.80 1a8r h MET 60 Ca -0.27 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1a8r h MET 60 Cb 1.54 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.34 1a8r h MET 60 CO 0.01 0.02 -0.07 0.39 0.23 0.00 0.00 176.91 177.49 1a8r n GLU 61 N -5.50 1.59 -0.07 0.39 -0.58 -1.26 -4.49 120.64 110.72 1a8r n GLU 61 Ca 0.19 -1.03 -0.07 0.00 -0.42 0.00 0.00 57.16 55.84 1a8r n GLU 61 Cb 0.63 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 30.02 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 2.50 0.60 -0.98 2.62 2.02 -1.35 0.08 112.91 118.41 1a8r h THR 62 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1a8r h THR 62 Cb 0.59 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 67.52 1a8r h THR 62 CO 0.00 0.00 0.60 -0.65 0.37 0.00 0.00 175.52 175.84 1a8r h PRO 63 N -0.08 0.91 -0.20 6.66 0.11 -1.79 0.13 132.00 137.74 1a8r h PRO 63 Ca 0.14 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1a8r h PRO 63 Cb 0.30 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1a8r h PRO 63 CO -0.33 0.60 -0.03 1.25 -0.21 0.00 0.00 178.00 179.28 1a8r h HIS 64 N 0.94 0.42 -0.82 0.65 -0.00 -1.70 -1.16 115.15 113.47 1a8r h HIS 64 Ca 0.49 -0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.81 1a8r h HIS 64 Cb 0.52 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.77 1a8r h HIS 64 CO -0.01 0.61 0.52 0.00 -0.00 0.00 0.00 177.93 179.05 1a8r h ARG 65 N 0.11 0.98 -0.36 5.26 3.08 0.09 0.87 114.38 124.40 1a8r h ARG 65 Ca 0.05 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1a8r h ARG 65 Cb 0.46 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1a8r h ARG 65 CO 0.02 0.65 -0.39 0.82 -1.07 0.00 0.00 179.97 179.99 1a8r h ILE 66 N 1.01 1.28 -0.23 2.04 2.04 -0.70 -0.06 117.51 122.88 1a8r h ILE 66 Ca 0.34 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1a8r h ILE 66 Cb 0.04 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1a8r h ILE 66 CO -0.13 0.52 0.08 0.00 0.00 0.00 0.00 178.15 178.63 1a8r h ALA 67 N 0.83 0.30 -0.59 1.87 0.00 -0.79 -0.89 119.26 120.00 1a8r h ALA 67 Ca 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1a8r h ALA 67 Cb 0.97 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1a8r h ALA 67 CO 0.09 -0.08 0.34 -0.22 0.00 0.00 0.00 179.25 179.38 1a8r h LYS 68 N 0.22 0.63 0.28 0.00 3.64 -0.73 -1.64 116.57 118.97 1a8r h LYS 68 Ca 0.08 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1a8r h LYS 68 Cb 0.21 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1a8r h LYS 68 CO -0.00 0.42 -0.15 1.98 -2.27 0.00 0.00 179.45 179.42 1a8r h MET 69 N 0.65 -0.39 0.02 1.90 4.05 -0.72 0.31 114.93 120.75 1a8r h MET 69 Ca 0.25 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1a8r h MET 69 Cb 0.09 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1a8r h MET 69 CO -0.14 -0.26 -0.01 1.88 0.23 0.00 0.00 176.91 178.61 1a8r h TYR 70 N -0.41 -0.03 0.26 1.39 0.05 -1.01 0.12 116.97 117.35 1a8r h TYR 70 Ca -0.03 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1a8r h TYR 70 Cb 0.32 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1a8r h TYR 70 CO -0.07 0.02 -0.12 0.28 -1.05 0.00 0.00 178.16 177.22 1a8r h VAL 71 N -0.07 0.63 0.00 -2.88 2.07 -1.31 -3.28 116.25 111.42 1a8r h VAL 71 Ca -0.00 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1a8r h VAL 71 Cb 0.06 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1a8r h VAL 71 CO 0.00 0.15 -1.12 0.47 0.02 0.00 0.00 177.57 177.09 1a8r n ASP 72 N -5.03 0.84 0.00 0.57 8.00 0.11 -4.53 116.55 116.51 1a8r n ASP 72 Ca -0.08 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1a8r n ASP 72 Cb 0.26 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 -2.72 0.00 0.31 -1.24 1.02 0.34 -4.63 120.64 113.72 1a8r n GLU 73 Ca -0.02 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1a8r n GLU 73 Cb 0.62 0.00 0.70 0.00 -0.02 0.00 0.00 31.44 32.74 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 -0.16 -3.67 3.07 -1.57 -0.56 117.51 114.63 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 0.57 0.00 0.00 -0.27 0.00 0.00 36.82 37.12 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 -2.75 0.41 -0.07 0.16 3.72 -1.24 -2.62 117.46 115.08 1a8r n PHE 75 Ca -0.02 -0.76 0.21 0.00 -0.05 0.00 0.00 57.45 56.83 1a8r n PHE 75 Cb 0.42 -0.16 0.67 0.00 -0.94 0.00 0.00 39.48 39.46 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 1.02 0.07 0.29 4.37 4.64 -1.09 -0.91 113.55 121.94 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 1.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1a8r h SER 76 CO 0.07 0.03 0.00 1.23 -0.87 0.00 0.00 176.83 177.30 1a8r h GLY 77 N 0.07 0.00 1.81 -0.77 0.00 -1.13 -2.12 103.07 100.93 1a8r h GLY 77 Ca 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 1a8r h GLY 77 CO -0.02 0.00 -0.16 1.41 0.00 0.00 0.00 176.54 177.76 1a8r h LEU 78 N 0.00 0.22 -8.59 3.11 3.38 -1.24 -3.40 115.31 108.78 1a8r h LEU 78 Ca 0.00 -0.05 -0.68 0.00 0.09 0.00 0.00 57.88 57.24 1a8r h LEU 78 Cb 0.14 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 40.66 1a8r h LEU 78 CO 0.00 0.41 -0.15 -0.62 0.09 0.00 0.00 178.44 178.17 1a8r s ASP 79 N -6.88 6.22 0.00 -0.43 -1.08 -0.80 -4.94 116.67 108.77 1a8r s ASP 79 Ca -0.05 -0.52 0.03 0.00 -0.52 0.00 0.00 52.55 51.49 1a8r s ASP 79 Cb 0.15 -2.24 0.18 0.00 -1.46 0.00 0.00 42.92 39.55 1a8r s ASP 79 CO 0.74 -0.58 0.61 -1.22 0.52 0.00 0.00 175.17 175.23 1a8r n TYR 80 N 5.69 0.00 0.21 -5.34 4.02 -1.26 -0.48 117.16 120.01 1a8r n TYR 80 Ca -0.06 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.93 1a8r n TYR 80 Cb 0.48 0.00 0.31 0.00 -0.02 0.00 0.00 39.34 40.11 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 2.08 0.93 -0.27 -0.72 0.00 -1.92 -2.78 119.26 116.58 1a8r h ALA 81 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1a8r h ALA 81 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1a8r h ALA 81 CO 0.00 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.55 1a8r n ASN 82 N -3.20 2.58 -4.76 0.00 3.02 0.37 -4.95 115.26 108.31 1a8r n ASN 82 Ca 0.02 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.29 1a8r n ASN 82 Cb 0.51 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.65 2.69 0.60 3.10 5.36 -1.05 -4.93 117.98 122.10 1a8r s PHE 83 Ca 0.35 0.94 -0.20 0.00 -0.96 0.00 0.00 56.93 57.06 1a8r s PHE 83 Cb 0.20 -4.05 -0.03 0.00 -0.34 0.00 0.00 43.02 38.80 1a8r s PHE 83 CO 0.29 -3.34 1.32 -0.35 -1.46 0.00 0.00 175.22 171.68 1a8r n PRO 84 N 1.47 1.38 -2.49 10.12 -0.04 -1.26 -4.94 135.00 139.24 1a8r n PRO 84 Ca 0.05 0.52 -0.43 0.00 -0.04 0.00 0.00 63.50 63.60 1a8r n PRO 84 Cb 0.38 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.27 1a8r n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1a8r s LYS 85 N -3.15 3.95 -0.02 0.54 1.02 -1.26 -4.92 119.74 115.90 1a8r s LYS 85 Ca 0.78 1.18 -0.19 0.00 0.02 0.00 0.00 55.97 57.75 1a8r s LYS 85 Cb -0.40 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.02 1a8r s LYS 85 CO 0.44 -1.07 0.55 0.42 -0.92 0.00 0.00 175.35 174.77 1a8r s ILE 86 N 4.17 4.97 0.01 2.17 -1.09 -1.26 -4.96 121.20 125.20 1a8r s ILE 86 Ca 0.53 1.13 0.03 0.00 -2.23 0.00 0.00 60.65 60.11 1a8r s ILE 86 Cb -0.15 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1a8r s ILE 86 CO 0.21 0.43 -0.10 0.42 -1.23 0.00 0.00 174.94 174.67 1a8r s THR 87 N -0.22 0.79 0.10 2.92 -4.23 -1.26 -5.09 115.64 108.65 1a8r s THR 87 Ca 0.29 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1a8r s THR 87 Cb -0.17 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 1a8r s THR 87 CO 0.15 0.11 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.56 1a8r s LEU 88 N -0.53 2.32 0.08 4.79 1.43 -1.26 -1.59 118.68 123.93 1a8r s LEU 88 Ca 0.02 -1.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.08 1a8r s LEU 88 Cb -0.05 0.06 -0.03 0.00 0.03 0.00 0.00 46.19 46.19 1a8r s LEU 88 CO 0.00 -0.56 -0.08 0.27 0.23 0.00 0.00 176.35 176.21 1a8r s ILE 89 N -3.77 0.71 0.25 -0.59 -4.36 0.22 -4.95 121.20 108.71 1a8r s ILE 89 Ca 0.15 -1.51 -0.31 0.00 -0.26 0.00 0.00 60.65 58.72 1a8r s ILE 89 Cb 0.06 -1.17 -0.11 0.00 1.25 0.00 0.00 42.46 42.49 1a8r s ILE 89 CO -0.04 -0.58 1.64 -0.70 0.24 0.00 0.00 174.94 175.50 1a8r s GLU 90 N -2.63 4.13 -1.07 0.37 2.12 -1.26 -0.66 118.70 119.69 1a8r s GLU 90 Ca 0.01 2.58 -0.07 0.00 0.36 0.00 0.00 54.97 57.84 1a8r s GLU 90 Cb -0.03 -3.05 -0.10 0.00 0.26 0.00 0.00 34.13 31.21 1a8r s GLU 90 CO -0.01 -0.67 2.65 -1.71 -0.54 0.00 0.00 175.26 174.98 1a8r n ASN 91 N 2.95 6.54 0.24 -1.70 5.15 0.84 -4.45 115.26 124.83 1a8r n ASN 91 Ca 0.11 -2.43 0.10 0.00 -0.60 0.00 0.00 54.58 51.76 1a8r n ASN 91 Cb 0.37 -1.31 0.61 0.00 -0.53 0.00 0.00 39.78 38.91 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 5.24 0.00 0.00 1.20 1.57 -1.88 -0.25 116.57 122.45 1a8r h LYS 92 Ca 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 1a8r h LYS 92 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1a8r h LYS 92 CO 1.39 0.18 0.00 0.52 -0.57 0.00 0.00 179.45 180.97 1a8r h MET 93 N 0.00 0.00 -5.83 3.15 2.86 -1.99 -3.46 114.93 109.66 1a8r h MET 93 Ca -0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.26 1a8r h MET 93 Cb 0.43 0.00 0.12 0.00 0.06 0.00 0.00 31.60 32.21 1a8r h MET 93 CO 0.02 0.00 -0.76 1.63 1.06 0.00 0.00 176.91 178.86 1a8r n LYS 94 N -2.60 -6.44 -2.59 1.72 5.02 -0.10 -4.93 118.16 108.24 1a8r n LYS 94 Ca 0.00 0.78 -0.43 0.00 -2.02 0.00 0.00 58.31 56.64 1a8r n LYS 94 Cb 0.18 -5.70 -0.02 0.00 -0.02 0.00 0.00 35.03 29.47 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 -3.42 4.56 -0.15 -0.18 1.01 -1.26 -4.89 120.40 116.06 1a8r s VAL 95 Ca 0.16 1.88 0.14 0.00 0.00 0.00 0.00 61.98 64.17 1a8r s VAL 95 Cb -0.07 -4.21 0.40 0.00 0.00 0.00 0.00 36.38 32.49 1a8r s VAL 95 CO 0.76 -0.15 1.20 -0.90 0.00 0.00 0.00 175.10 176.00 1a8r n ASP 96 N 6.31 1.58 -4.35 3.32 5.75 -1.26 -4.20 116.55 123.70 1a8r n ASP 96 Ca 0.12 -3.39 -0.25 0.00 -0.01 0.00 0.00 54.79 51.27 1a8r n ASP 96 Cb 0.46 -0.46 -0.12 0.00 -1.03 0.00 0.00 41.12 39.96 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 -2.45 1.30 0.64 0.11 0.41 -1.26 -4.96 118.70 112.50 1a8r s GLU 97 Ca 0.36 -1.34 -0.17 0.00 -0.41 0.00 0.00 54.97 53.41 1a8r s GLU 97 Cb 0.35 -1.57 -0.01 0.00 -1.78 0.00 0.00 34.13 31.12 1a8r s GLU 97 CO -0.08 0.35 1.18 0.00 -0.49 0.00 0.00 175.26 176.22 1a8r s MET 98 N -2.33 2.72 -0.11 1.61 0.23 -1.26 -4.26 119.30 115.90 1a8r s MET 98 Ca 0.13 1.68 0.03 0.00 -1.03 0.00 0.00 55.69 56.50 1a8r s MET 98 Cb -0.08 -1.91 -0.00 0.00 -1.53 0.00 0.00 34.83 31.30 1a8r s MET 98 CO 0.06 -1.37 -0.21 0.08 -2.03 0.00 0.00 175.02 171.56 1a8r s VAL 99 N -1.91 2.32 -0.07 5.16 1.01 0.50 -4.93 120.40 122.48 1a8r s VAL 99 Ca 0.73 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1a8r s VAL 99 Cb -0.27 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 1a8r s VAL 99 CO 0.38 0.55 -0.23 -0.89 0.00 0.00 0.00 175.10 174.91 1a8r s THR 100 N 0.34 1.91 -0.23 3.92 2.01 -1.26 -2.02 115.64 120.31 1a8r s THR 100 Ca -0.17 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 60.85 1a8r s THR 100 Cb -0.17 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.71 1a8r s THR 100 CO 0.08 0.53 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.78 1a8r s VAL 101 N 0.12 2.91 0.20 3.82 1.01 0.48 -4.99 120.40 123.95 1a8r s VAL 101 Ca -0.10 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.11 1a8r s VAL 101 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1a8r s VAL 101 CO 0.06 0.31 -0.06 0.00 0.00 0.00 0.00 175.10 175.41 1a8r s ARG 102 N 1.37 2.17 -1.20 2.72 1.70 -1.26 -0.87 118.95 123.58 1a8r s ARG 102 Ca 0.03 -1.28 -0.01 0.00 -0.47 0.00 0.00 55.73 53.99 1a8r s ARG 102 Cb -0.15 -2.19 0.00 0.00 -0.57 0.00 0.00 34.95 32.04 1a8r s ARG 102 CO -0.05 0.42 1.01 -0.25 -1.08 0.00 0.00 175.30 175.34 1a8r n ASP 103 N -0.22 -2.53 -4.68 -2.89 8.00 -0.90 -4.95 116.55 108.39 1a8r n ASP 103 Ca -0.09 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.38 1a8r n ASP 103 Cb 0.56 -5.05 -0.03 0.00 -0.02 0.00 0.00 41.12 36.58 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 -3.35 4.79 0.24 0.53 1.01 -0.37 -4.83 121.20 119.21 1a8r s ILE 104 Ca 0.07 1.92 -0.31 0.00 0.00 0.00 0.00 60.65 62.32 1a8r s ILE 104 Cb -0.03 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 38.06 1a8r s ILE 104 CO 0.72 -0.03 1.66 0.41 0.00 0.00 0.00 174.94 177.70 1a8r n THR 105 N 4.77 0.38 -3.94 2.92 -1.04 -1.26 -0.75 114.28 115.35 1a8r n THR 105 Ca 0.08 -0.09 -0.22 0.00 -2.04 0.00 0.00 64.05 61.78 1a8r n THR 105 Cb 0.48 -1.94 -0.17 0.00 -1.82 0.00 0.00 70.33 66.89 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 0.56 0.95 -0.12 -4.42 0.20 -0.36 -4.78 118.68 110.71 1a8r s LEU 106 Ca 0.71 -0.11 -0.00 0.00 0.69 0.00 0.00 54.13 55.42 1a8r s LEU 106 Cb -0.52 -0.45 0.02 0.00 -0.43 0.00 0.00 46.19 44.82 1a8r s LEU 106 CO 0.39 -0.13 -0.10 0.42 -0.29 0.00 0.00 176.35 176.64 1a8r s THR 107 N 1.47 1.19 0.18 3.68 -4.23 -1.26 -0.79 115.64 115.89 1a8r s THR 107 Ca -0.02 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 1a8r s THR 107 Cb -0.13 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.52 1a8r s THR 107 CO -0.03 0.40 0.17 -0.24 -0.54 0.00 0.00 174.62 174.38 1a8r n SER 108 N 4.88 -0.45 -3.94 3.99 2.88 -0.41 -4.23 113.62 116.35 1a8r n SER 108 Ca -0.14 -2.13 -0.19 0.00 -1.33 0.00 0.00 58.87 55.08 1a8r n SER 108 Cb 0.50 0.98 -0.16 0.00 -0.75 0.00 0.00 64.21 64.78 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 -2.70 0.56 0.13 2.46 2.01 -1.24 -0.72 115.64 116.15 1a8r s THR 109 Ca 0.20 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1a8r s THR 109 Cb 0.01 -0.54 -0.07 0.00 0.01 0.00 0.00 72.50 71.91 1a8r s THR 109 CO 0.14 0.20 1.06 0.00 -0.69 0.00 0.00 174.62 175.34 1a8r n GLU 111 N 2.76 0.00 0.08 0.00 0.28 -0.27 -0.29 120.64 123.20 1a8r n GLU 111 Ca 0.03 0.12 -0.11 0.00 -0.16 0.00 0.00 57.16 57.04 1a8r n GLU 111 Cb 0.47 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.80 1a8r n GLU 111 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1a8r h SER 112 N 0.00 0.34 0.00 -1.84 4.64 -1.92 -3.38 113.55 111.38 1a8r h SER 112 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1a8r h SER 112 Cb 0.38 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1a8r h SER 112 CO 0.00 1.11 0.00 1.41 -0.87 0.00 0.00 176.83 178.48 1a8r n HIS 113 N -3.65 0.00 -3.40 4.77 8.25 -1.21 -5.02 115.22 114.96 1a8r n HIS 113 Ca -0.05 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.22 1a8r n HIS 113 Cb 0.85 0.00 0.08 0.00 1.12 0.00 0.00 29.99 32.04 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 -0.14 -2.31 -4.36 4.41 3.01 0.61 -5.02 117.46 113.66 1a8r n PHE 114 Ca 0.00 0.89 -0.27 0.00 1.01 0.00 0.00 57.45 59.07 1a8r n PHE 114 Cb 0.10 -4.72 -0.11 0.00 -0.01 0.00 0.00 39.48 34.74 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 -3.31 2.66 0.34 -4.37 1.01 -1.21 -4.85 120.40 110.67 1a8r s VAL 115 Ca 0.28 -1.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.18 1a8r s VAL 115 Cb -0.12 -2.27 -0.13 0.00 0.00 0.00 0.00 36.38 33.85 1a8r s VAL 115 CO 0.66 -0.06 0.86 0.41 0.00 0.00 0.00 175.10 176.96 1a8r n THR 116 N 0.34 2.05 -3.87 3.92 -1.04 -1.26 -0.22 114.28 114.19 1a8r n THR 116 Ca -0.13 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.11 1a8r n THR 116 Cb 0.55 -0.84 -0.17 0.00 -1.82 0.00 0.00 70.33 68.05 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 -1.20 0.96 -0.22 12.58 1.01 0.10 -1.87 121.20 132.57 1a8r s ILE 117 Ca 0.61 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 1a8r s ILE 117 Cb -0.66 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1a8r s ILE 117 CO 0.58 0.20 -0.01 -0.62 0.00 0.00 0.00 174.94 175.09 1a8r s ASP 118 N 1.71 4.65 0.13 3.58 2.15 -0.16 -1.29 116.67 127.44 1a8r s ASP 118 Ca 0.02 -0.28 -0.02 0.00 0.43 0.00 0.00 52.55 52.70 1a8r s ASP 118 Cb -0.14 -1.80 0.01 0.00 -0.30 0.00 0.00 42.92 40.69 1a8r s ASP 118 CO -0.08 0.01 0.21 0.61 -0.17 0.00 0.00 175.17 175.76 1a8r n GLY 119 N 4.58 2.36 3.00 2.66 0.00 0.03 -0.44 105.19 117.38 1a8r n GLY 119 Ca -0.17 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.19 0.15 0.22 1.61 1.02 0.05 -1.22 119.74 119.39 1a8r s LYS 120 Ca 0.09 0.27 0.08 0.00 0.02 0.00 0.00 55.97 56.43 1a8r s LYS 120 Cb -0.01 -0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 1a8r s LYS 120 CO 0.06 -0.07 0.01 0.00 -0.92 0.00 0.00 175.35 174.43 1a8r s ALA 121 N 0.46 3.20 -0.06 5.17 0.00 0.07 -1.12 121.76 129.48 1a8r s ALA 121 Ca -0.03 -1.51 -0.00 0.00 0.00 0.00 0.00 51.96 50.41 1a8r s ALA 121 Cb -0.05 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1a8r s ALA 121 CO -0.02 0.36 -0.02 0.99 0.00 0.00 0.00 175.76 177.07 1a8r s THR 122 N -2.04 0.43 -0.03 0.00 2.01 0.50 -1.24 115.64 115.27 1a8r s THR 122 Ca 0.30 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.35 1a8r s THR 122 Cb -0.08 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 1a8r s THR 122 CO 0.19 0.23 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.49 1a8r s VAL 123 N 1.42 1.42 0.03 3.82 1.01 -0.05 -1.02 120.40 127.04 1a8r s VAL 123 Ca -0.03 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1a8r s VAL 123 Cb -0.13 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1a8r s VAL 123 CO -0.03 0.41 -0.04 0.00 0.00 0.00 0.00 175.10 175.43 1a8r s ALA 124 N -0.18 0.31 0.08 5.51 0.00 -0.51 -0.39 121.76 126.58 1a8r s ALA 124 Ca 0.01 -0.71 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 1a8r s ALA 124 Cb -0.09 0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.22 1a8r s ALA 124 CO 0.01 -0.14 0.60 1.52 0.00 0.00 0.00 175.76 177.75 1a8r s TYR 125 N -1.68 -0.55 -0.28 0.00 1.13 -0.85 -0.25 117.35 114.87 1a8r s TYR 125 Ca -0.12 0.58 -0.07 0.00 -1.41 0.00 0.00 57.07 56.05 1a8r s TYR 125 Cb -0.08 0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 41.24 1a8r s TYR 125 CO -0.01 -0.74 0.07 0.42 -2.51 0.00 0.00 175.55 172.78 1a8r s ILE 126 N -2.78 4.08 0.11 -3.49 1.01 -0.71 -0.37 121.20 119.06 1a8r s ILE 126 Ca -0.04 -0.48 -0.33 0.00 0.00 0.00 0.00 60.65 59.81 1a8r s ILE 126 Cb -0.01 -3.02 -0.12 0.00 0.01 0.00 0.00 42.46 39.33 1a8r s ILE 126 CO -0.04 0.19 1.76 -2.65 0.00 0.00 0.00 174.94 174.20 1a8r n PRO 127 N 4.89 2.52 0.00 2.79 -0.02 -1.26 -4.86 135.00 139.06 1a8r n PRO 127 Ca -0.15 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1a8r n PRO 127 Cb 0.49 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1a8r n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1a8r n LYS 128 N 4.97 0.00 -0.01 -0.52 4.81 -1.26 -4.56 118.16 121.59 1a8r n LYS 128 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1a8r n LYS 128 Cb 0.33 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.27 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 0.48 -4.26 3.14 8.00 -1.26 -4.81 116.55 117.83 1a8r n ASP 129 Ca 0.00 0.21 -0.18 0.00 0.71 0.00 0.00 54.79 55.53 1a8r n ASP 129 Cb 0.00 0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 41.73 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 -5.45 2.14 -0.14 -2.24 1.04 -1.26 -0.11 113.70 107.68 1a8r s SER 130 Ca -0.06 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.50 1a8r s SER 130 Cb 0.09 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1a8r s SER 130 CO 0.83 -0.14 -0.07 -0.69 0.98 0.00 0.00 173.24 174.15 1a8r s VAL 131 N -2.27 3.60 0.29 5.02 1.01 0.16 -4.74 120.40 123.49 1a8r s VAL 131 Ca 0.12 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1a8r s VAL 131 Cb -0.04 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 1a8r s VAL 131 CO 0.04 0.51 0.59 -0.51 0.00 0.00 0.00 175.10 175.73 1a8r s ILE 132 N 0.28 4.96 0.08 2.22 2.07 -1.26 -0.61 121.20 128.94 1a8r s ILE 132 Ca -0.05 0.27 -0.31 0.00 -1.41 0.00 0.00 60.65 59.15 1a8r s ILE 132 Cb -0.15 -3.70 -0.08 0.00 0.13 0.00 0.00 42.46 38.66 1a8r s ILE 132 CO 0.04 -0.29 1.58 -0.83 -1.91 0.00 0.00 174.94 173.53 1a8r s GLY 133 N -2.94 1.63 0.22 1.50 0.00 -0.62 -4.91 107.32 102.21 1a8r s GLY 133 Ca 0.46 1.19 -0.13 0.00 0.00 0.00 0.00 44.72 46.23 1a8r s GLY 133 CO 0.28 2.74 1.60 1.41 0.00 0.00 0.00 173.10 179.13 1a8r h LEU 134 N 8.03 -0.77 -2.42 0.66 3.38 -1.95 0.14 115.31 122.37 1a8r h LEU 134 Ca -0.42 0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1a8r h LEU 134 Cb 1.20 0.48 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1a8r h LEU 134 CO 0.92 -0.25 0.10 0.77 0.09 0.00 0.00 178.44 180.07 1a8r h SER 135 N -0.03 0.00 0.05 -0.43 4.64 -2.00 -1.82 113.55 113.97 1a8r h SER 135 Ca 0.33 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.60 1a8r h SER 135 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1a8r h SER 135 CO -0.75 0.00 -0.16 0.11 -0.87 0.00 0.00 176.83 175.16 1a8r h LYS 136 N 0.00 0.23 -0.30 4.77 1.79 -1.33 -0.48 116.57 121.24 1a8r h LYS 136 Ca 0.04 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1a8r h LYS 136 Cb 0.24 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1a8r h LYS 136 CO -0.00 0.39 -0.03 0.82 -1.08 0.00 0.00 179.45 179.55 1a8r h ILE 137 N 0.22 1.27 -0.16 1.86 2.04 -1.41 0.26 117.51 121.59 1a8r h ILE 137 Ca 0.04 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1a8r h ILE 137 Cb 0.41 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1a8r h ILE 137 CO 0.03 0.33 0.10 0.78 0.00 0.00 0.00 178.15 179.39 1a8r h ASN 138 N 0.34 0.18 -0.86 1.72 2.35 -1.46 -1.64 115.58 116.21 1a8r h ASN 138 Ca 0.08 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1a8r h ASN 138 Cb 0.49 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 1a8r h ASN 138 CO 0.02 0.15 0.41 0.03 -1.65 0.00 0.00 177.43 176.40 1a8r h ARG 139 N 0.20 1.24 -0.33 0.81 3.08 -0.99 -1.19 114.38 117.19 1a8r h ARG 139 Ca 0.06 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1a8r h ARG 139 Cb -0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 1a8r h ARG 139 CO -0.01 0.95 0.08 0.82 -1.07 0.00 0.00 179.97 180.73 1a8r h ILE 140 N 1.22 1.22 -0.09 2.04 2.04 -0.74 0.41 117.51 123.62 1a8r h ILE 140 Ca 0.29 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.44 1a8r h ILE 140 Cb 0.12 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1a8r h ILE 140 CO -0.04 0.25 -0.12 0.58 0.00 0.00 0.00 178.15 178.82 1a8r h VAL 141 N 0.38 0.67 0.00 1.67 2.07 -1.03 -1.56 116.25 118.45 1a8r h VAL 141 Ca 0.10 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1a8r h VAL 141 Cb 0.30 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1a8r h VAL 141 CO 0.00 0.00 -0.20 1.56 0.02 0.00 0.00 177.57 178.95 1a8r h GLN 142 N -0.16 0.00 0.82 1.57 1.08 -1.08 -0.48 115.11 116.86 1a8r h GLN 142 Ca 0.07 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1a8r h GLN 142 Cb 0.27 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1a8r h GLN 142 CO -0.19 0.20 -0.39 0.35 -0.95 0.00 0.00 178.83 177.84 1a8r h PHE 143 N 0.00 -1.02 0.00 2.96 3.57 0.83 -1.95 116.94 121.33 1a8r h PHE 143 Ca -0.00 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1a8r h PHE 143 Cb 0.40 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1a8r h PHE 143 CO 0.00 -0.63 -0.30 0.74 -2.23 0.00 0.00 178.31 175.89 1a8r h PHE 144 N -1.21 0.00 -0.36 0.41 0.04 -1.35 -2.88 116.94 111.60 1a8r h PHE 144 Ca -0.11 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.57 1a8r h PHE 144 Cb 0.86 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 1a8r h PHE 144 CO -0.00 0.30 -0.15 0.00 -0.60 0.00 0.00 178.31 177.86 1a8r h ALA 145 N 1.70 1.06 0.00 2.45 0.00 -0.97 -3.32 119.26 120.18 1a8r h ALA 145 Ca -0.00 -0.32 -0.70 0.00 0.00 0.00 0.00 54.91 53.89 1a8r h ALA 145 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1a8r h ALA 145 CO 0.04 0.57 3.05 1.04 0.00 0.00 0.00 179.25 183.95 1a8r n GLN 146 N -4.16 2.69 -3.47 0.00 1.13 -0.74 -4.21 117.38 108.63 1a8r n GLN 146 Ca 0.01 -2.47 -0.11 0.00 -1.94 0.00 0.00 57.00 52.49 1a8r n GLN 146 Cb 0.37 -3.21 -0.02 0.00 0.11 0.00 0.00 30.24 27.48 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 3.41 1.05 -0.15 -1.09 0.52 -1.08 -0.87 118.95 120.74 1a8r s ARG 147 Ca 0.49 -0.33 -0.29 0.00 -0.52 0.00 0.00 55.73 55.08 1a8r s ARG 147 Cb 0.14 0.48 -0.04 0.00 0.52 0.00 0.00 34.95 36.06 1a8r s ARG 147 CO -0.06 -0.45 1.58 -2.14 0.02 0.00 0.00 175.30 174.25 1a8r s PRO 148 N -3.23 4.01 0.43 3.54 0.02 -1.26 -3.70 135.00 134.80 1a8r s PRO 148 Ca 0.02 1.87 0.06 0.00 0.02 0.00 0.00 61.00 62.97 1a8r s PRO 148 Cb -0.01 -3.98 -0.06 0.00 0.02 0.00 0.00 34.50 30.47 1a8r s PRO 148 CO -0.09 -1.03 0.03 -0.65 -0.33 0.00 0.00 177.00 174.92 1a8r s GLN 149 N 4.26 2.04 -0.20 5.54 -1.52 0.18 -4.63 119.66 125.33 1a8r s GLN 149 Ca 0.70 -2.14 -0.03 0.00 -1.95 0.00 0.00 55.36 51.93 1a8r s GLN 149 Cb -0.28 -1.66 0.06 0.00 -0.22 0.00 0.00 33.01 30.92 1a8r s GLN 149 CO 0.27 -0.13 0.05 0.08 -0.25 0.00 0.00 175.29 175.32 1a8r s VAL 150 N -2.74 0.39 0.33 1.09 1.01 -1.26 -1.12 120.40 118.10 1a8r s VAL 150 Ca 0.30 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1a8r s VAL 150 Cb 0.08 -0.96 0.36 0.00 0.00 0.00 0.00 36.38 35.85 1a8r s VAL 150 CO 0.15 -0.27 1.60 -0.61 0.00 0.00 0.00 175.10 175.98 1a8r h GLN 151 N 8.28 0.09 -0.78 2.72 4.15 -1.98 0.24 115.11 127.83 1a8r h GLN 151 Ca -0.16 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.29 1a8r h GLN 151 Cb 1.12 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.74 1a8r h GLN 151 CO 0.34 0.06 0.49 0.93 -1.93 0.00 0.00 178.83 178.72 1a8r h GLU 152 N 0.10 0.92 0.10 1.69 3.07 -1.99 -0.84 114.58 117.62 1a8r h GLU 152 Ca 0.68 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.48 1a8r h GLU 152 Cb 1.56 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1a8r h GLU 152 CO -0.77 0.61 -0.05 -0.09 -1.40 0.00 0.00 179.01 177.31 1a8r h ARG 153 N 0.94 -0.13 -0.72 2.33 2.43 -1.02 -3.12 114.38 115.09 1a8r h ARG 153 Ca 0.32 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.66 1a8r h ARG 153 Cb 0.04 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.50 1a8r h ARG 153 CO -0.12 0.32 -0.03 1.25 -1.51 0.00 0.00 179.97 179.87 1a8r h LEU 154 N -0.64 -0.40 -0.82 3.80 5.85 -0.88 0.16 115.31 122.38 1a8r h LEU 154 Ca -0.01 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1a8r h LEU 154 Cb 0.51 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1a8r h LEU 154 CO 0.02 -0.18 0.54 0.74 -0.34 0.00 0.00 178.44 179.22 1a8r h THR 155 N 0.08 1.19 0.06 1.05 2.02 -1.22 -2.27 112.91 113.82 1a8r h THR 155 Ca 0.38 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1a8r h THR 155 Cb 0.65 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1a8r h THR 155 CO -0.66 0.20 -0.03 1.56 0.37 0.00 0.00 175.52 176.96 1a8r h GLN 156 N 1.09 -0.08 -0.21 6.66 1.08 -0.69 -2.62 115.11 120.34 1a8r h GLN 156 Ca 0.31 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.56 1a8r h GLN 156 Cb -0.09 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 1a8r h GLN 156 CO -0.08 0.03 -0.07 1.96 -0.95 0.00 0.00 178.83 179.72 1a8r h GLN 157 N -0.16 -0.03 -0.78 1.46 4.20 -0.93 -1.08 115.11 117.79 1a8r h GLN 157 Ca -0.01 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.75 1a8r h GLN 157 Cb 0.14 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 1a8r h GLN 157 CO 0.01 -0.02 0.48 0.82 -0.67 0.00 0.00 178.83 179.45 1a8r h ILE 158 N -0.03 1.05 0.60 2.54 2.04 -1.39 -0.86 117.51 121.46 1a8r h ILE 158 Ca 0.11 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1a8r h ILE 158 Cb 0.19 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1a8r h ILE 158 CO -0.24 0.16 -0.29 0.25 0.00 0.00 0.00 178.15 178.04 1a8r h LEU 159 N 0.90 -0.68 -0.02 1.44 5.85 -1.01 -1.22 115.31 120.57 1a8r h LEU 159 Ca 0.33 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.08 1a8r h LEU 159 Cb 0.12 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1a8r h LEU 159 CO -0.15 -0.47 -0.09 0.40 -0.34 0.00 0.00 178.44 177.79 1a8r h ILE 160 N -0.83 0.77 -0.38 4.05 1.08 -1.04 -0.50 117.51 120.66 1a8r h ILE 160 Ca -0.08 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.46 1a8r h ILE 160 Cb 0.62 0.77 -0.07 0.00 -3.07 0.00 0.00 36.82 35.07 1a8r h ILE 160 CO 0.13 0.00 -0.08 0.00 -0.69 0.00 0.00 178.15 177.52 1a8r h ALA 161 N 0.86 0.27 -0.60 1.87 0.00 -1.15 0.21 119.26 120.72 1a8r h ALA 161 Ca 0.04 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1a8r h ALA 161 Cb 0.20 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1a8r h ALA 161 CO -0.11 -0.44 0.06 -0.07 0.00 0.00 0.00 179.25 178.69 1a8r h LEU 162 N 0.02 0.99 -0.30 0.00 3.38 -1.01 -1.10 115.31 117.28 1a8r h LEU 162 Ca 0.19 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1a8r h LEU 162 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1a8r h LEU 162 CO -0.38 1.02 0.12 1.56 0.09 0.00 0.00 178.44 180.85 1a8r h GLN 163 N 0.92 0.26 0.33 1.13 4.20 -0.24 0.13 115.11 121.83 1a8r h GLN 163 Ca 0.18 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1a8r h GLN 163 Cb 0.48 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1a8r h GLN 163 CO 0.02 0.17 -0.36 1.15 -0.67 0.00 0.00 178.83 179.14 1a8r h THR 164 N 0.27 0.00 -0.77 -0.54 2.02 -0.72 0.49 112.91 113.65 1a8r h THR 164 Ca 0.13 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.44 1a8r h THR 164 Cb 0.08 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.44 1a8r h THR 164 CO -0.12 0.00 0.51 -0.07 0.37 0.00 0.00 175.52 176.20 1a8r h LEU 165 N -0.69 0.50 0.00 2.58 3.38 -1.02 -1.70 115.31 118.36 1a8r h LEU 165 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1a8r h LEU 165 Cb 0.60 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1a8r h LEU 165 CO -0.06 0.27 -0.78 -0.07 0.09 0.00 0.00 178.44 177.89 1a8r h LEU 166 N 0.54 0.00 -1.32 1.67 3.38 -0.50 -3.49 115.31 115.59 1a8r h LEU 166 Ca 0.37 -0.15 -0.28 0.00 0.09 0.00 0.00 57.88 57.91 1a8r h LEU 166 Cb 0.69 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.57 1a8r h LEU 166 CO -0.13 0.08 -0.57 0.61 0.09 0.00 0.00 178.44 178.52 1a8r n GLY 167 N 1.28 -0.20 3.53 0.83 0.00 0.17 -4.73 105.19 106.07 1a8r n GLY 167 Ca 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.27 0.00 -0.57 2.61 2.01 -0.98 -4.89 115.64 110.56 1a8r s THR 168 Ca 0.22 -0.03 0.24 0.00 0.31 0.00 0.00 61.69 62.43 1a8r s THR 168 Cb -0.10 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.45 1a8r s THR 168 CO 0.57 -0.01 1.21 0.78 -0.69 0.00 0.00 174.62 176.47 1a8r h ASN 169 N 3.69 0.00 -0.15 3.53 2.35 -1.93 -3.39 115.58 119.68 1a8r h ASN 169 Ca -0.28 -0.21 -0.58 0.00 -0.55 0.00 0.00 56.30 54.68 1a8r h ASN 169 Cb 1.15 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.54 1a8r h ASN 169 CO 0.29 0.11 2.02 0.59 -1.65 0.00 0.00 177.43 178.79 1a8r n ASN 170 N -2.17 2.80 -3.94 5.81 3.02 -1.26 -1.75 115.26 117.76 1a8r n ASN 170 Ca 0.02 -2.70 -0.12 0.00 -0.03 0.00 0.00 54.58 51.75 1a8r n ASN 170 Cb 0.46 -1.32 -0.13 0.00 -0.61 0.00 0.00 39.78 38.18 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 6.43 0.20 -0.02 2.41 1.01 -1.24 -1.74 120.40 127.45 1a8r s VAL 171 Ca 0.60 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1a8r s VAL 171 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.26 1a8r s VAL 171 CO 0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 175.10 175.03 1a8r s ALA 172 N -0.52 0.56 -0.05 5.51 0.00 0.65 -0.85 121.76 127.06 1a8r s ALA 172 Ca -0.04 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.74 1a8r s ALA 172 Cb -0.04 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1a8r s ALA 172 CO -0.00 0.09 -0.08 0.08 0.00 0.00 0.00 175.76 175.85 1a8r s VAL 173 N 0.17 0.75 -0.03 0.00 1.01 0.24 -1.42 120.40 121.12 1a8r s VAL 173 Ca -0.02 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1a8r s VAL 173 Cb -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1a8r s VAL 173 CO -0.00 0.26 -0.10 -0.55 0.00 0.00 0.00 175.10 174.72 1a8r s SER 174 N 0.69 1.29 -0.06 3.32 0.15 -0.18 0.10 113.70 119.00 1a8r s SER 174 Ca -0.11 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1a8r s SER 174 Cb -0.14 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.83 1a8r s SER 174 CO 0.01 0.07 -0.11 -0.63 1.20 0.00 0.00 173.24 173.78 1a8r s ILE 175 N 0.20 1.06 -0.14 6.45 1.01 -0.09 -0.37 121.20 129.32 1a8r s ILE 175 Ca -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1a8r s ILE 175 Cb -0.09 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 1a8r s ILE 175 CO 0.01 0.34 -0.15 -0.62 0.00 0.00 0.00 174.94 174.52 1a8r s ASP 176 N 0.66 3.81 0.06 3.58 -1.08 -0.27 -1.23 116.67 122.19 1a8r s ASP 176 Ca -0.14 -0.40 -0.19 0.00 -0.52 0.00 0.00 52.55 51.30 1a8r s ASP 176 Cb -0.15 -1.58 0.04 0.00 -1.46 0.00 0.00 42.92 39.77 1a8r s ASP 176 CO 0.03 0.13 0.46 0.00 0.52 0.00 0.00 175.17 176.31 1a8r s ALA 177 N 0.53 -1.13 -0.19 3.66 0.00 0.16 -0.77 121.76 124.03 1a8r s ALA 177 Ca -0.10 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.16 1a8r s ALA 177 Cb -0.16 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 1a8r s ALA 177 CO 0.04 -0.52 0.03 0.08 0.00 0.00 0.00 175.76 175.39 1a8r s VAL 178 N -2.74 4.35 -0.28 0.00 1.01 0.41 -0.71 120.40 122.44 1a8r s VAL 178 Ca -0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1a8r s VAL 178 Cb -0.00 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1a8r s VAL 178 CO -0.04 0.44 0.10 -1.00 0.00 0.00 0.00 175.10 174.60 1a8r s HIS 179 N 0.68 3.13 -0.62 5.22 3.76 -1.26 -0.98 115.29 125.22 1a8r s HIS 179 Ca 0.01 -0.53 0.20 0.00 -0.15 0.00 0.00 55.06 54.59 1a8r s HIS 179 Cb -0.14 -2.28 0.86 0.00 1.11 0.00 0.00 32.58 32.13 1a8r s HIS 179 CO 0.02 -0.41 1.61 0.66 -0.85 0.00 0.00 174.74 175.76 1a8r n TYR 180 N 4.94 0.55 0.44 1.40 4.02 -0.78 -1.39 117.16 126.34 1a8r n TYR 180 Ca -0.15 0.23 0.13 0.00 -0.01 0.00 0.00 57.90 58.09 1a8r n TYR 180 Cb 0.50 -0.86 0.46 0.00 -0.02 0.00 0.00 39.34 39.42 1a8r n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a8r n VAL 182 N -2.46 1.51 0.01 0.00 0.31 -0.59 -4.20 118.33 112.91 1a8r n VAL 182 Ca 0.03 -0.54 -0.18 0.00 -0.01 0.00 0.00 64.34 63.64 1a8r n VAL 182 Cb 0.34 -1.51 -0.12 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.15 0.33 -0.38 5.55 3.64 -1.11 -0.23 116.57 124.22 1a8r h LYS 183 Ca -0.59 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.39 1a8r h LYS 183 Cb 1.86 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 1a8r h LYS 183 CO -0.13 1.10 0.00 0.00 -2.27 0.00 0.00 179.45 178.15 1a8r n ALA 184 N -2.60 3.00 -3.75 5.00 0.00 -0.20 -3.85 120.51 118.12 1a8r n ALA 184 Ca -0.11 -1.95 -0.07 0.00 0.00 0.00 0.00 53.44 51.31 1a8r n ALA 184 Cb 0.67 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.37 1.48 5.71 0.00 3.52 -1.23 -4.95 118.95 121.11 1a8r s ARG 185 Ca 0.42 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 1a8r s ARG 185 Cb 0.31 0.53 0.00 0.00 -1.56 0.00 0.00 34.95 34.23 1a8r s ARG 185 CO 0.13 -0.67 0.00 0.41 -0.81 0.00 0.00 175.30 174.36 1a8r n GLY 186 N -0.44 2.66 0.29 8.12 0.00 -1.26 -0.16 105.19 114.39 1a8r n GLY 186 Ca -0.07 0.32 0.17 0.00 0.00 0.00 0.00 46.02 46.45 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 0.17 -6.47 -0.61 6.09 -1.84 -3.47 117.51 111.39 1a8r h ILE 187 Ca 0.00 -0.41 -0.49 0.00 -1.37 0.00 0.00 64.86 62.58 1a8r h ILE 187 Cb 0.00 1.34 -0.02 0.00 0.47 0.00 0.00 36.82 38.61 1a8r h ILE 187 CO 0.00 0.04 -0.91 0.54 -3.07 0.00 0.00 178.15 174.76 1a8r n ARG 188 N -3.24 -2.63 -2.81 2.19 1.74 0.77 -4.90 116.66 107.77 1a8r n ARG 188 Ca -0.01 0.39 -0.43 0.00 -0.77 0.00 0.00 57.85 57.04 1a8r n ARG 188 Cb 0.23 -4.32 -0.04 0.00 -1.02 0.00 0.00 32.46 27.32 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 -4.13 6.27 0.32 0.55 -1.08 -0.22 -4.89 116.67 113.49 1a8r s ASP 189 Ca 0.13 -0.55 0.25 0.00 -0.52 0.00 0.00 52.55 51.87 1a8r s ASP 189 Cb -0.05 -2.45 1.10 0.00 -1.46 0.00 0.00 42.92 40.06 1a8r s ASP 189 CO 0.89 -1.36 1.76 0.00 0.52 0.00 0.00 175.17 176.98 1a8r h ALA 190 N 9.46 1.00 0.00 3.66 0.00 -1.86 -3.35 119.26 128.17 1a8r h ALA 190 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1a8r h ALA 190 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1a8r h ALA 190 CO 1.14 0.00 -1.47 0.25 0.00 0.00 0.00 179.25 179.17 1a8r n THR 191 N -2.38 0.13 -1.35 0.00 -2.24 -1.26 -5.06 114.28 102.12 1a8r n THR 191 Ca 0.01 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.24 1a8r n THR 191 Cb 0.21 0.06 0.09 0.00 -2.10 0.00 0.00 70.33 68.60 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 -3.29 4.46 -0.02 3.42 1.04 -1.26 -5.07 113.70 112.99 1a8r s SER 192 Ca -0.04 1.65 -0.20 0.00 0.48 0.00 0.00 55.95 57.84 1a8r s SER 192 Cb 0.05 -2.39 0.04 0.00 0.10 0.00 0.00 66.02 63.83 1a8r s SER 192 CO 0.39 -2.03 0.43 0.00 0.98 0.00 0.00 173.24 173.00 1a8r s ALA 193 N -2.97 -1.10 -0.08 5.32 0.00 -1.26 -4.81 121.76 116.86 1a8r s ALA 193 Ca 0.61 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1a8r s ALA 193 Cb -0.16 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1a8r s ALA 193 CO 0.56 -0.32 -0.06 0.99 0.00 0.00 0.00 175.76 176.92 1a8r s THR 194 N -1.46 3.73 -0.08 0.00 2.01 0.11 -4.91 115.64 115.03 1a8r s THR 194 Ca -0.12 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.46 1a8r s THR 194 Cb -0.03 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1a8r s THR 194 CO 0.05 0.58 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.48 1a8r s THR 195 N -0.62 1.71 0.06 -0.82 2.01 -1.26 -0.66 115.64 116.06 1a8r s THR 195 Ca 0.09 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.32 1a8r s THR 195 Cb -0.12 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 1a8r s THR 195 CO 0.02 0.48 -0.14 0.42 -0.69 0.00 0.00 174.62 174.71 1a8r s THR 196 N 0.40 1.13 0.04 -0.82 -4.23 -0.37 -4.99 115.64 106.80 1a8r s THR 196 Ca -0.16 -1.15 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 1a8r s THR 196 Cb -0.17 -1.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.60 1a8r s THR 196 CO 0.06 -0.10 -0.08 0.42 -0.54 0.00 0.00 174.62 174.38 1a8r s THR 197 N -1.05 0.57 -0.20 3.99 -4.23 -1.26 -0.92 115.64 112.54 1a8r s THR 197 Ca 0.00 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.39 1a8r s THR 197 Cb -0.09 -0.63 0.06 0.00 1.34 0.00 0.00 72.50 73.18 1a8r s THR 197 CO 0.02 -0.38 0.03 -0.44 -0.54 0.00 0.00 174.62 173.31 1a8r s SER 198 N -1.59 2.98 -0.13 3.99 0.01 0.11 -4.98 113.70 114.10 1a8r s SER 198 Ca -0.10 -0.85 -0.04 0.00 1.31 0.00 0.00 55.95 56.28 1a8r s SER 198 Cb -0.10 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 65.45 1a8r s SER 198 CO 0.00 -0.30 0.02 -0.76 0.41 0.00 0.00 173.24 172.61 1a8r s LEU 199 N 1.82 3.60 0.15 2.44 1.43 -1.26 -0.60 118.68 126.26 1a8r s LEU 199 Ca -0.01 0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 1a8r s LEU 199 Cb -0.17 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1a8r s LEU 199 CO -0.08 0.27 -0.12 -0.83 0.23 0.00 0.00 176.35 175.82 1a8r s GLY 200 N -0.25 1.15 0.00 -3.19 0.00 -0.03 -4.56 107.32 100.43 1a8r s GLY 200 Ca 0.06 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1a8r s GLY 200 CO 0.02 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.18 1a8r n GLY 201 N -0.00 3.08 0.32 0.20 0.00 -0.72 -1.36 105.19 106.72 1a8r n GLY 201 Ca -0.11 -0.11 0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.33 0.99 3.38 -1.94 0.12 115.31 116.53 1a8r h LEU 202 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1a8r h LEU 202 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a8r h LEU 202 CO 0.00 0.00 -0.09 -0.26 0.09 0.00 0.00 178.44 178.18 1a8r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.48 0.56 116.94 117.19 1a8r h PHE 203 Ca 0.06 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.69 1a8r h PHE 203 Cb 0.33 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1a8r h PHE 203 CO 0.00 0.09 -1.24 1.17 -0.60 0.00 0.00 178.31 177.74 1a8r n LYS 204 N -3.24 0.53 0.28 1.51 3.00 0.05 -4.19 118.16 116.11 1a8r n LYS 204 Ca 0.00 0.36 -0.12 0.00 -0.00 0.00 0.00 58.31 58.55 1a8r n LYS 204 Cb 0.35 -1.56 -0.06 0.00 0.00 0.00 0.00 35.03 33.77 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 -0.69 -3.30 3.14 0.02 -0.87 -3.43 113.55 107.42 1a8r h SER 205 Ca -0.20 0.03 -0.59 0.00 -0.84 0.00 0.00 61.79 60.19 1a8r h SER 205 Cb 1.04 0.19 -0.08 0.00 0.14 0.00 0.00 62.40 63.69 1a8r h SER 205 CO -0.12 -0.46 0.60 -0.55 -1.14 0.00 0.00 176.83 175.16 1a8r s SER 206 N -3.20 6.85 0.49 3.07 0.15 0.18 -4.92 113.70 116.32 1a8r s SER 206 Ca -0.11 0.99 0.23 0.00 0.70 0.00 0.00 55.95 57.75 1a8r s SER 206 Cb 0.01 -2.47 1.25 0.00 -1.71 0.00 0.00 66.02 63.10 1a8r s SER 206 CO 0.34 -0.66 2.02 -0.61 1.20 0.00 0.00 173.24 175.53 1a8r h GLN 207 N 7.87 0.00 0.14 5.44 4.15 -1.83 0.15 115.11 131.03 1a8r h GLN 207 Ca -0.22 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1a8r h GLN 207 Cb 1.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1a8r h GLN 207 CO 0.93 0.17 -0.07 -0.97 -1.93 0.00 0.00 178.83 176.96 1a8r h ASN 208 N 0.00 -0.16 -0.11 -0.69 -1.24 -1.91 -1.62 115.58 109.84 1a8r h ASN 208 Ca -0.00 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 56.79 1a8r h ASN 208 Cb 0.38 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.47 1a8r h ASN 208 CO 0.02 0.13 0.04 0.74 -1.29 0.00 0.00 177.43 177.07 1a8r h THR 209 N -0.46 1.16 -0.38 -3.57 2.02 -1.66 -2.52 112.91 107.50 1a8r h THR 209 Ca -0.02 -0.49 0.08 0.00 0.77 0.00 0.00 66.41 66.75 1a8r h THR 209 Cb 0.36 1.28 -0.09 0.00 -1.74 0.00 0.00 68.15 67.97 1a8r h THR 209 CO 0.03 0.15 -0.31 -0.09 0.37 0.00 0.00 175.52 175.67 1a8r h ARG 210 N 0.01 -0.24 0.00 6.66 2.43 -0.70 -1.84 114.38 120.70 1a8r h ARG 210 Ca 0.04 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1a8r h ARG 210 Cb 0.19 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1a8r h ARG 210 CO -0.00 -0.16 -0.40 0.45 -1.51 0.00 0.00 179.97 178.35 1a8r h HIS 211 N -0.25 0.00 -0.53 2.20 3.86 -1.30 -1.52 115.15 117.62 1a8r h HIS 211 Ca 0.17 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1a8r h HIS 211 Cb 0.53 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 1a8r h HIS 211 CO -0.52 0.40 0.21 0.93 0.86 0.00 0.00 177.93 179.81 1a8r h GLU 212 N 0.00 0.79 0.39 2.45 5.08 -0.92 0.20 114.58 122.57 1a8r h GLU 212 Ca -0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1a8r h GLU 212 Cb 1.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1a8r h GLU 212 CO 0.05 0.70 -0.19 0.35 -1.00 0.00 0.00 179.01 178.92 1a8r h PHE 213 N 0.71 -0.49 -0.68 4.33 3.57 -1.15 -2.51 116.94 120.74 1a8r h PHE 213 Ca 0.18 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1a8r h PHE 213 Cb 0.21 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1a8r h PHE 213 CO 0.01 -0.18 0.45 -0.07 -2.23 0.00 0.00 178.31 176.29 1a8r h LEU 214 N -0.78 0.58 -0.31 0.59 3.38 -1.17 -1.78 115.31 115.81 1a8r h LEU 214 Ca -0.05 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1a8r h LEU 214 Cb 0.53 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1a8r h LEU 214 CO 0.09 0.37 0.08 -0.09 0.09 0.00 0.00 178.44 178.98 1a8r h ARG 215 N 0.65 0.50 -0.39 1.13 2.43 -0.59 -2.96 114.38 115.15 1a8r h ARG 215 Ca 0.30 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1a8r h ARG 215 Cb 0.33 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1a8r h ARG 215 CO -0.10 0.56 0.20 0.00 -1.51 0.00 0.00 179.97 179.13 1a8r h ALA 216 N 0.92 1.62 -2.50 2.80 0.00 -0.88 -3.44 119.26 117.77 1a8r h ALA 216 Ca 0.10 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 54.37 1a8r h ALA 216 Cb 0.28 -0.16 0.10 0.00 0.00 0.00 0.00 17.79 18.01 1a8r h ALA 216 CO 0.00 0.32 0.59 0.28 0.00 0.00 0.00 179.25 180.44 1a8r n VAL 217 N -4.42 1.56 -2.54 0.00 0.31 -0.81 -4.30 118.33 108.13 1a8r n VAL 217 Ca 0.03 -0.39 -0.01 0.00 -0.01 0.00 0.00 64.34 63.96 1a8r n VAL 217 Cb 0.11 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1a8r n VAL 217 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1a8r n ARG 218 N 1.19 -2.90 -3.85 5.55 3.00 -1.26 -5.03 116.66 113.36 1a8r n ARG 218 Ca 0.07 2.41 -0.30 0.00 -0.00 0.00 0.00 57.85 60.03 1a8r n ARG 218 Cb 0.35 -4.76 -0.15 0.00 0.00 0.00 0.00 32.46 27.90 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 -1.47 2.25 -0.34 -0.14 3.76 -1.26 -5.09 115.29 113.00 1a8r s HIS 219 Ca 0.02 -1.92 -0.35 0.00 -0.15 0.00 0.00 55.06 52.66 1a8r s HIS 219 Cb -0.01 -1.86 -0.11 0.00 1.11 0.00 0.00 32.58 31.71 1a8r s HIS 219 CO 0.67 -0.84 2.18 0.72 -0.85 0.00 0.00 174.74 176.62 1a8r n HIS 220 N 4.70 1.61 -0.19 1.40 8.25 -1.26 -5.04 115.22 124.69 1a8r n HIS 220 Ca -0.04 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1a8r n HIS 220 Cb 0.43 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.01 1a8r n HIS 220 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07