#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 -4.76 3.54 2.88 -1.26 -5.15 113.62 108.87 1a8r n SER 2 Ca 0.00 -0.20 -0.35 0.00 -1.33 0.00 0.00 58.87 56.99 1a8r n SER 2 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 3.64 0.77 2.46 1.43 -1.26 -5.01 118.68 120.70 1a8r s LEU 3 Ca 0.00 2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 1a8r s LEU 3 Cb 0.00 -4.59 0.05 0.00 0.03 0.00 0.00 46.19 41.68 1a8r s LEU 3 CO 0.00 -1.51 1.08 -0.94 0.23 0.00 0.00 176.35 175.22 1a8r s SER 4 N -1.82 4.76 0.21 2.29 1.04 -1.26 -4.82 113.70 114.09 1a8r s SER 4 Ca 0.74 1.44 -0.10 0.00 0.48 0.00 0.00 55.95 58.51 1a8r s SER 4 Cb -0.27 -2.22 0.25 0.00 0.10 0.00 0.00 66.02 63.88 1a8r s SER 4 CO 0.33 -1.82 1.78 0.11 0.98 0.00 0.00 173.24 174.62 1a8r h LYS 5 N -0.98 0.52 -0.34 4.02 1.57 -1.99 -1.06 116.57 118.31 1a8r h LYS 5 Ca -0.46 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1a8r h LYS 5 Cb 1.25 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1a8r h LYS 5 CO 0.58 0.35 0.14 0.93 -0.57 0.00 0.00 179.45 180.88 1a8r h GLU 6 N 0.54 0.50 -0.30 3.15 3.07 -1.97 -0.71 114.58 118.87 1a8r h GLU 6 Ca 0.30 -0.09 0.05 0.00 -0.50 0.00 0.00 59.36 59.12 1a8r h GLU 6 Cb 0.27 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 1a8r h GLU 6 CO -0.23 0.49 0.03 0.00 -1.40 0.00 0.00 179.01 177.90 1a8r h ALA 7 N 0.99 0.29 0.49 3.43 0.00 -1.73 -0.49 119.26 122.25 1a8r h ALA 7 Ca 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1a8r h ALA 7 Cb 0.17 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1a8r h ALA 7 CO -0.01 -0.38 -0.31 0.00 0.00 0.00 0.00 179.25 178.55 1a8r h ALA 8 N 1.24 -0.78 -0.57 0.00 0.00 -0.98 -0.47 119.26 117.70 1a8r h ALA 8 Ca 0.14 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1a8r h ALA 8 Cb 0.17 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1a8r h ALA 8 CO -0.21 -0.95 0.22 -0.07 0.00 0.00 0.00 179.25 178.23 1a8r h LEU 9 N -0.77 0.23 -0.08 0.00 3.38 -0.92 -0.28 115.31 116.87 1a8r h LEU 9 Ca -0.06 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1a8r h LEU 9 Cb 0.64 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1a8r h LEU 9 CO 0.05 0.15 0.04 0.58 0.09 0.00 0.00 178.44 179.34 1a8r h VAL 10 N 0.41 1.12 -0.65 1.22 2.07 -0.94 -0.21 116.25 119.27 1a8r h VAL 10 Ca 0.28 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1a8r h VAL 10 Cb 0.32 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1a8r h VAL 10 CO -0.27 0.10 0.41 -0.74 0.02 0.00 0.00 177.57 177.09 1a8r h HIS 11 N -0.00 0.77 -0.08 1.57 -0.00 -0.73 -0.21 115.15 116.46 1a8r h HIS 11 Ca 0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1a8r h HIS 11 Cb 0.13 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.28 1a8r h HIS 11 CO -0.03 0.45 0.04 0.93 -0.00 0.00 0.00 177.93 179.32 1a8r h GLU 12 N 0.81 0.11 -0.76 5.26 5.08 -0.89 -0.96 114.58 123.24 1a8r h GLU 12 Ca 0.26 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.67 1a8r h GLU 12 Cb -0.00 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 1a8r h GLU 12 CO -0.09 0.15 0.45 0.00 -1.00 0.00 0.00 179.01 178.52 1a8r h ALA 13 N 0.95 1.03 -0.27 3.43 0.00 -0.63 0.64 119.26 124.41 1a8r h ALA 13 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1a8r h ALA 13 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1a8r h ALA 13 CO -0.00 0.15 0.01 -0.07 0.00 0.00 0.00 179.25 179.33 1a8r h LEU 14 N 0.81 0.46 -0.53 0.00 3.38 -0.84 -2.28 115.31 116.31 1a8r h LEU 14 Ca 0.34 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1a8r h LEU 14 Cb 0.19 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1a8r h LEU 14 CO -0.18 0.65 0.34 0.58 0.09 0.00 0.00 178.44 179.91 1a8r h VAL 15 N 0.26 1.15 -0.75 1.22 2.07 -0.83 0.11 116.25 119.48 1a8r h VAL 15 Ca 0.08 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 67.40 1a8r h VAL 15 Cb 0.41 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 1a8r h VAL 15 CO 0.01 0.15 0.37 0.00 0.02 0.00 0.00 177.57 178.12 1a8r h ALA 16 N 1.17 1.06 -0.01 1.67 0.00 -0.73 0.31 119.26 122.74 1a8r h ALA 16 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1a8r h ALA 16 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a8r h ALA 16 CO -0.04 -0.07 -0.03 0.54 0.00 0.00 0.00 179.25 179.65 1a8r n ARG 17 N -4.88 1.25 -2.76 0.00 3.00 -0.87 -4.91 116.66 107.49 1a8r n ARG 17 Ca 0.13 -0.52 -0.13 0.00 -0.01 0.00 0.00 57.85 57.32 1a8r n ARG 17 Cb 0.33 -1.49 0.02 0.00 0.00 0.00 0.00 32.46 31.32 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 1.15 0.00 0.45 -0.13 0.00 0.10 -4.93 105.19 101.82 1a8r n GLY 18 Ca 0.19 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.54 1.84 -4.75 0.99 4.77 0.30 -5.02 117.00 112.59 1a8r n LEU 19 Ca -0.06 -0.87 -0.37 0.00 -0.03 0.00 0.00 56.01 54.68 1a8r n LEU 19 Cb 0.57 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1a8r n LEU 19 CO 0.29 0.34 0.91 -1.61 -1.33 0.00 0.00 177.39 176.00 1a8r s GLU 20 N -1.51 3.19 0.41 3.23 0.41 -1.21 -4.84 118.70 118.38 1a8r s GLU 20 Ca 0.14 2.03 -0.25 0.00 -0.41 0.00 0.00 54.97 56.49 1a8r s GLU 20 Cb 0.12 -2.19 -0.08 0.00 -1.78 0.00 0.00 34.13 30.20 1a8r s GLU 20 CO 0.28 -1.09 1.23 0.99 -0.49 0.00 0.00 175.26 176.18 1a8r s THR 21 N -1.42 2.89 -0.84 3.63 2.01 -1.26 -4.81 115.64 115.83 1a8r s THR 21 Ca 0.72 0.75 -0.22 0.00 0.31 0.00 0.00 61.69 63.25 1a8r s THR 21 Cb -0.35 -3.42 -0.18 0.00 0.01 0.00 0.00 72.50 68.55 1a8r s THR 21 CO 0.41 0.07 2.25 -2.65 -0.69 0.00 0.00 174.62 174.01 1a8r n PRO 22 N -0.01 0.35 -4.85 4.92 -0.02 -1.26 -4.88 135.00 129.26 1a8r n PRO 22 Ca 0.05 -0.86 -0.25 0.00 -2.02 0.00 0.00 63.50 60.41 1a8r n PRO 22 Cb 0.45 -3.23 -0.15 0.00 -0.02 0.00 0.00 33.50 30.55 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 12.55 2.05 -0.01 2.45 2.96 -1.26 -5.14 118.68 132.28 1a8r s LEU 23 Ca 0.92 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 54.37 1a8r s LEU 23 Cb -0.21 -0.94 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 1a8r s LEU 23 CO 0.17 0.21 0.30 -0.13 -1.32 0.00 0.00 176.35 175.59 1a8r s ARG 24 N -0.54 3.68 0.64 1.98 0.52 -1.26 -5.07 118.95 118.90 1a8r s ARG 24 Ca 0.07 0.10 -0.18 0.00 -0.52 0.00 0.00 55.73 55.20 1a8r s ARG 24 Cb -0.07 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.24 1a8r s ARG 24 CO -0.00 0.68 1.13 -2.30 0.02 0.00 0.00 175.30 174.82 1a8r n PRO 25 N 1.49 0.96 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.41 1a8r n PRO 25 Ca -0.13 0.38 -0.21 0.00 -2.02 0.00 0.00 63.50 61.51 1a8r n PRO 25 Cb 0.53 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.56 0.38 -0.17 0.52 -0.02 -1.26 -4.77 135.00 128.12 1a8r n PRO 26 Ca 0.15 -0.40 -0.03 0.00 -2.02 0.00 0.00 63.50 61.20 1a8r n PRO 26 Cb 0.48 -2.58 0.18 0.00 -0.02 0.00 0.00 33.50 31.56 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 7.49 1.22 -2.93 -1.45 2.07 -2.04 -3.43 116.25 117.18 1a8r h VAL 27 Ca -0.02 -0.73 -0.15 0.00 0.82 0.00 0.00 66.70 66.62 1a8r h VAL 27 Cb 1.10 0.51 -0.26 0.00 -1.52 0.00 0.00 31.29 31.12 1a8r h VAL 27 CO 1.26 0.29 -0.36 -1.00 0.02 0.00 0.00 177.57 177.78 1a8r s HIS 28 N -5.38 -0.39 -1.46 1.57 3.76 -1.26 -5.05 115.29 107.08 1a8r s HIS 28 Ca -0.10 0.91 -0.10 0.00 -0.15 0.00 0.00 55.06 55.61 1a8r s HIS 28 Cb 0.16 0.13 0.03 0.00 1.11 0.00 0.00 32.58 34.01 1a8r s HIS 28 CO 0.80 -0.21 2.46 0.39 -0.85 0.00 0.00 174.74 177.33 1a8r n GLU 29 N 3.36 3.62 -3.33 1.40 1.02 -1.26 -4.93 120.64 120.53 1a8r n GLU 29 Ca -0.17 -2.78 -0.38 0.00 -0.02 0.00 0.00 57.16 53.81 1a8r n GLU 29 Cb 0.57 -2.93 -0.06 0.00 -0.02 0.00 0.00 31.44 29.00 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 1.52 4.25 0.31 3.49 1.75 -1.26 -5.03 119.30 124.32 1a8r s MET 30 Ca 0.55 0.51 -0.30 0.00 -1.25 0.00 0.00 55.69 55.21 1a8r s MET 30 Cb 0.16 -3.37 -0.12 0.00 2.84 0.00 0.00 34.83 34.34 1a8r s MET 30 CO -0.06 0.32 1.55 -3.47 -0.65 0.00 0.00 175.02 172.71 1a8r n ASP 31 N 3.04 3.72 -0.38 1.11 -0.08 -1.26 -4.88 116.55 117.83 1a8r n ASP 31 Ca -0.08 1.16 0.30 0.00 -1.51 0.00 0.00 54.79 54.65 1a8r n ASP 31 Cb 0.52 -1.58 0.57 0.00 2.34 0.00 0.00 41.12 42.96 1a8r n ASP 31 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1a8r h ASN 32 N 4.32 0.36 -0.79 1.67 4.21 -2.00 -0.06 115.58 123.29 1a8r h ASN 32 Ca -0.47 0.13 0.09 0.00 1.21 0.00 0.00 56.30 57.25 1a8r h ASN 32 Cb 1.23 0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 38.47 1a8r h ASN 32 CO 0.76 -0.08 0.52 -0.33 -1.29 0.00 0.00 177.43 177.01 1a8r h GLU 33 N 0.24 0.75 -0.12 0.81 5.08 -1.98 0.27 114.58 119.62 1a8r h GLU 33 Ca 0.72 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 59.00 1a8r h GLU 33 Cb 2.03 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 1a8r h GLU 33 CO -0.41 0.49 -0.08 1.15 -1.00 0.00 0.00 179.01 179.17 1a8r h THR 34 N 0.77 1.33 -0.87 1.13 2.02 -1.36 0.21 112.91 116.14 1a8r h THR 34 Ca 0.36 -1.17 0.03 0.00 0.77 0.00 0.00 66.41 66.41 1a8r h THR 34 Cb 0.38 1.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.59 1a8r h THR 34 CO -0.14 0.34 0.56 0.03 0.37 0.00 0.00 175.52 176.68 1a8r h ARG 35 N -0.10 1.06 -0.46 6.66 3.08 -1.26 0.21 114.38 123.57 1a8r h ARG 35 Ca 0.02 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1a8r h ARG 35 Cb 0.57 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1a8r h ARG 35 CO 0.02 0.70 -0.08 0.87 -1.07 0.00 0.00 179.97 180.41 1a8r h LYS 36 N 1.09 0.82 -0.41 0.04 1.57 -0.34 0.22 116.57 119.56 1a8r h LYS 36 Ca 0.35 -0.27 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1a8r h LYS 36 Cb 0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1a8r h LYS 36 CO -0.12 0.88 -0.31 0.66 -0.57 0.00 0.00 179.45 179.99 1a8r h SER 37 N 0.75 0.96 -0.24 0.86 4.64 -0.00 0.20 113.55 120.72 1a8r h SER 37 Ca 0.13 -0.40 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1a8r h SER 37 Cb 0.57 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1a8r h SER 37 CO 0.04 1.19 0.04 -0.07 -0.87 0.00 0.00 176.83 177.16 1a8r h LEU 38 N 0.77 0.37 -0.46 5.97 3.38 -0.25 0.04 115.31 125.14 1a8r h LEU 38 Ca 0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1a8r h LEU 38 Cb 0.89 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1a8r h LEU 38 CO 0.08 0.53 0.12 0.40 0.09 0.00 0.00 178.44 179.66 1a8r h ILE 39 N 0.20 1.23 -0.82 1.22 2.04 -0.54 -1.99 117.51 118.85 1a8r h ILE 39 Ca 0.07 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1a8r h ILE 39 Cb 0.31 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1a8r h ILE 39 CO 0.00 0.29 0.53 0.00 0.00 0.00 0.00 178.15 178.97 1a8r h ALA 40 N 0.98 1.08 -0.34 1.87 0.00 -0.74 -0.87 119.26 121.24 1a8r h ALA 40 Ca 0.14 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1a8r h ALA 40 Cb 0.31 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1a8r h ALA 40 CO 0.00 0.38 0.12 0.78 0.00 0.00 0.00 179.25 180.53 1a8r h GLY 41 N 1.05 0.43 1.00 0.00 0.00 -0.59 0.30 103.07 105.26 1a8r h GLY 41 Ca 0.32 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.61 1a8r h GLY 41 CO -0.10 0.04 0.62 0.45 0.00 0.00 0.00 176.54 177.54 1a8r h HIS 42 N 0.27 1.15 -0.06 5.60 -0.00 -0.58 -1.73 115.15 119.80 1a8r h HIS 42 Ca 0.15 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.42 1a8r h HIS 42 Cb 0.12 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 1a8r h HIS 42 CO -0.13 0.69 -0.53 0.52 -0.00 0.00 0.00 177.93 178.47 1a8r h MET 43 N 1.21 0.17 -0.15 2.45 2.86 -0.32 -1.29 114.93 119.86 1a8r h MET 43 Ca 0.36 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1a8r h MET 43 Cb -0.04 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1a8r h MET 43 CO -0.10 0.66 0.09 1.15 1.06 0.00 0.00 176.91 179.77 1a8r h THR 44 N 0.14 1.07 0.11 2.22 2.02 -0.20 -1.07 112.91 117.21 1a8r h THR 44 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1a8r h THR 44 Cb 0.99 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1a8r h THR 44 CO 0.08 0.07 -0.10 -0.33 0.37 0.00 0.00 175.52 175.61 1a8r h GLU 45 N 0.16 -0.22 -0.45 6.66 4.39 -1.16 -1.49 114.58 122.47 1a8r h GLU 45 Ca 0.05 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.84 1a8r h GLU 45 Cb 0.04 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.67 1a8r h GLU 45 CO -0.01 -0.15 0.09 0.82 -1.16 0.00 0.00 179.01 178.61 1a8r h ILE 46 N -0.23 0.76 -0.55 3.13 2.04 -1.05 0.36 117.51 121.97 1a8r h ILE 46 Ca 0.00 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1a8r h ILE 46 Cb 0.22 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1a8r h ILE 46 CO -0.02 0.04 0.24 0.24 0.00 0.00 0.00 178.15 178.65 1a8r h MET 47 N 0.23 0.78 -0.55 2.37 2.86 -1.00 -0.89 114.93 118.72 1a8r h MET 47 Ca 0.22 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 1a8r h MET 47 Cb 0.28 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1a8r h MET 47 CO -0.29 0.62 0.02 1.96 1.06 0.00 0.00 176.91 180.28 1a8r h GLN 48 N 0.77 0.96 0.00 1.72 4.20 -0.19 -0.17 115.11 122.40 1a8r h GLN 48 Ca 0.19 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1a8r h GLN 48 Cb 0.12 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1a8r h GLN 48 CO -0.02 0.96 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.96 1a8r h LEU 49 N 0.85 0.00 -1.42 1.46 3.38 0.04 0.24 115.31 119.87 1a8r h LEU 49 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1a8r h LEU 49 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1a8r h LEU 49 CO 0.02 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.80 1a8r n LEU 50 N -3.58 2.17 -2.02 1.67 4.77 -0.44 -4.95 117.00 114.62 1a8r n LEU 50 Ca -0.02 -0.80 -0.18 0.00 -0.03 0.00 0.00 56.01 54.98 1a8r n LEU 50 Cb 0.18 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1a8r n LEU 50 CO 0.28 0.40 -0.22 0.59 -1.33 0.00 0.00 177.39 177.11 1a8r n ASN 51 N 0.67 -5.15 -4.75 -1.43 3.02 0.86 -4.98 115.26 103.50 1a8r n ASN 51 Ca 0.17 -0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 1a8r n ASN 51 Cb 0.44 -4.22 -0.05 0.00 -0.61 0.00 0.00 39.78 35.34 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 -5.07 4.55 -1.00 3.41 1.43 -0.16 -4.96 118.68 116.88 1a8r s LEU 52 Ca 0.01 1.73 -0.23 0.00 -1.03 0.00 0.00 54.13 54.60 1a8r s LEU 52 Cb -0.00 -3.45 0.05 0.00 0.03 0.00 0.00 46.19 42.81 1a8r s LEU 52 CO 0.01 0.08 1.46 -0.62 0.23 0.00 0.00 176.35 177.51 1a8r s ASP 53 N -0.61 6.44 0.00 2.29 2.15 -1.26 -4.59 116.67 121.08 1a8r s ASP 53 Ca 0.41 -1.38 0.06 0.00 0.43 0.00 0.00 52.55 52.07 1a8r s ASP 53 Cb -0.23 -2.57 0.36 0.00 -0.30 0.00 0.00 42.92 40.18 1a8r s ASP 53 CO 0.28 -1.57 0.79 0.18 -0.17 0.00 0.00 175.17 174.68 1a8r n LEU 54 N 9.09 0.00 0.13 -1.34 4.77 -1.26 -1.30 117.00 127.09 1a8r n LEU 54 Ca 0.32 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.35 1a8r n LEU 54 Cb 0.51 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1a8r n LEU 54 CO 0.66 0.00 0.33 0.00 -1.33 0.00 0.00 177.39 177.05 1a8r h ALA 55 N 2.30 0.71 -2.74 -1.18 0.00 -1.94 -3.30 119.26 113.11 1a8r h ALA 55 Ca 0.00 -0.40 -0.53 0.00 0.00 0.00 0.00 54.91 53.98 1a8r h ALA 55 Cb 0.00 0.01 0.06 0.00 0.00 0.00 0.00 17.79 17.86 1a8r h ALA 55 CO 0.00 0.50 0.79 0.34 0.00 0.00 0.00 179.25 180.88 1a8r s ASP 56 N -6.16 6.60 0.41 0.00 2.15 -0.42 -4.81 116.67 114.45 1a8r s ASP 56 Ca 0.03 2.71 0.15 0.00 0.43 0.00 0.00 52.55 55.86 1a8r s ASP 56 Cb 0.08 -2.62 1.01 0.00 -0.30 0.00 0.00 42.92 41.08 1a8r s ASP 56 CO 0.75 -0.75 1.90 -2.24 -0.17 0.00 0.00 175.17 174.67 1a8r h ASP 57 N 5.17 0.44 0.65 -0.34 3.04 -1.89 0.18 116.42 123.67 1a8r h ASP 57 Ca -0.46 0.03 -0.10 0.00 -3.24 0.00 0.00 57.03 53.26 1a8r h ASP 57 Cb 1.22 -0.06 -0.01 0.00 -1.04 0.00 0.00 39.33 39.43 1a8r h ASP 57 CO 0.79 0.22 -0.47 -1.28 -2.04 0.00 0.00 179.24 176.46 1a8r h SER 58 N 0.47 0.00 0.00 4.15 0.87 -1.95 -3.30 113.55 113.79 1a8r h SER 58 Ca 0.40 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.75 1a8r h SER 58 Cb 0.86 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.78 1a8r h SER 58 CO -0.14 0.47 -2.20 0.18 -0.53 0.00 0.00 176.83 174.61 1a8r n LEU 59 N -3.75 0.00 -0.33 2.23 4.77 -0.35 -4.65 117.00 114.93 1a8r n LEU 59 Ca -0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1a8r n LEU 59 Cb 0.53 0.29 0.23 0.00 -2.33 0.00 0.00 43.42 42.13 1a8r n LEU 59 CO 0.39 0.29 0.78 -0.03 -1.33 0.00 0.00 177.39 177.48 1a8r h MET 60 N 0.00 0.03 -0.02 3.23 4.05 -0.79 -0.59 114.93 120.84 1a8r h MET 60 Ca -0.31 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1a8r h MET 60 Cb 1.71 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.50 1a8r h MET 60 CO 0.02 0.02 -0.08 0.39 0.23 0.00 0.00 176.91 177.48 1a8r n GLU 61 N -5.49 1.61 -0.04 0.39 -0.58 -1.26 -4.49 120.64 110.78 1a8r n GLU 61 Ca 0.19 -1.07 -0.08 0.00 -0.42 0.00 0.00 57.16 55.78 1a8r n GLU 61 Cb 0.64 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 30.01 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 2.61 0.40 -0.80 2.62 2.02 -1.36 -0.19 112.91 118.21 1a8r h THR 62 Ca 0.00 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.36 1a8r h THR 62 Cb 0.62 0.40 -0.12 0.00 -1.74 0.00 0.00 68.15 67.31 1a8r h THR 62 CO 0.00 0.00 0.24 -0.65 0.37 0.00 0.00 175.52 175.48 1a8r h PRO 63 N -0.25 0.30 -0.52 6.66 0.11 -1.79 0.22 132.00 136.73 1a8r h PRO 63 Ca 0.13 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.13 1a8r h PRO 63 Cb 0.46 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1a8r h PRO 63 CO -0.38 0.20 -0.07 1.25 -0.21 0.00 0.00 178.00 178.79 1a8r h HIS 64 N 0.31 1.06 -0.42 0.65 -0.00 -1.69 -1.80 115.15 113.26 1a8r h HIS 64 Ca 0.47 -0.21 -0.04 0.00 -0.00 0.00 0.00 60.37 60.59 1a8r h HIS 64 Cb 0.84 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 1a8r h HIS 64 CO -0.23 0.99 0.13 0.00 -0.00 0.00 0.00 177.93 178.82 1a8r h ARG 65 N 0.83 0.66 -0.48 5.26 3.08 0.94 -1.07 114.38 123.59 1a8r h ARG 65 Ca 0.14 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1a8r h ARG 65 Cb 0.62 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1a8r h ARG 65 CO 0.04 0.66 0.07 0.82 -1.07 0.00 0.00 179.97 180.48 1a8r h ILE 66 N 0.54 1.25 -0.42 2.04 2.04 -0.61 0.01 117.51 122.36 1a8r h ILE 66 Ca 0.14 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1a8r h ILE 66 Cb 0.27 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1a8r h ILE 66 CO -0.00 0.33 0.24 0.00 0.00 0.00 0.00 178.15 178.72 1a8r h ALA 67 N 0.96 0.53 -0.59 1.87 0.00 -1.18 -0.31 119.26 120.54 1a8r h ALA 67 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a8r h ALA 67 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1a8r h ALA 67 CO 0.01 -0.09 0.33 -0.22 0.00 0.00 0.00 179.25 179.28 1a8r h LYS 68 N 0.48 0.82 -0.27 0.00 3.64 -0.96 -1.37 116.57 118.92 1a8r h LYS 68 Ca 0.17 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1a8r h LYS 68 Cb 0.03 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1a8r h LYS 68 CO -0.09 0.62 0.15 1.98 -2.27 0.00 0.00 179.45 179.84 1a8r h MET 69 N 0.80 0.37 0.23 1.90 4.05 -0.52 0.17 114.93 121.93 1a8r h MET 69 Ca 0.21 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 1a8r h MET 69 Cb 0.03 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1a8r h MET 69 CO -0.03 0.32 -0.11 1.88 0.23 0.00 0.00 176.91 179.20 1a8r h TYR 70 N 0.33 -0.29 0.03 1.39 0.05 -0.91 0.13 116.97 117.69 1a8r h TYR 70 Ca 0.10 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 1a8r h TYR 70 Cb 0.05 0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.89 1a8r h TYR 70 CO -0.04 -0.03 -0.01 0.28 -1.05 0.00 0.00 178.16 177.31 1a8r h VAL 71 N -0.52 1.44 0.00 -2.88 2.07 -1.30 -3.29 116.25 111.78 1a8r h VAL 71 Ca -0.03 -1.72 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 1a8r h VAL 71 Cb 0.38 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1a8r h VAL 71 CO 0.05 0.42 -0.95 0.44 0.02 0.00 0.00 177.57 177.55 1a8r h ASP 72 N -0.82 0.00 0.00 0.57 3.32 -0.83 -3.40 116.42 115.27 1a8r h ASP 72 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a8r h ASP 72 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1a8r h ASP 72 CO 0.01 0.20 0.00 -0.62 -1.72 0.00 0.00 179.24 177.10 1a8r n GLU 73 N -2.83 0.00 0.17 3.56 1.02 -0.48 -4.62 120.64 117.46 1a8r n GLU 73 Ca -0.02 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.20 1a8r n GLU 73 Cb 0.64 0.00 0.43 0.00 -0.02 0.00 0.00 31.44 32.49 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 0.00 -3.67 3.07 -1.05 -0.71 117.51 115.15 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 0.35 0.00 0.00 -0.27 0.00 0.00 36.82 36.90 1a8r h ILE 74 CO 0.00 0.00 -0.03 0.49 -1.05 0.00 0.00 178.15 177.56 1a8r n PHE 75 N -2.14 0.00 0.27 0.16 3.72 -1.24 -2.79 117.46 115.44 1a8r n PHE 75 Ca -0.01 -0.70 0.18 0.00 -0.05 0.00 0.00 57.45 56.87 1a8r n PHE 75 Cb 0.26 -0.10 0.91 0.00 -0.94 0.00 0.00 39.48 39.61 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 0.00 0.00 0.45 4.37 4.64 -1.06 -0.82 113.55 121.13 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 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1a8r h SER 76 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1a8r n GLY 77 N -1.28 -1.10 0.14 -0.77 0.00 0.40 -2.04 105.19 100.54 1a8r n GLY 77 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -8.65 0.99 3.38 -1.26 -3.42 115.31 106.36 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 0.22 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.81 1a8r h LEU 78 CO 0.00 0.61 -0.10 -0.62 0.09 0.00 0.00 178.44 178.42 1a8r s ASP 79 N -6.84 6.26 0.00 -0.43 2.15 -0.86 -4.94 116.67 112.01 1a8r s ASP 79 Ca -0.01 -0.33 0.04 0.00 0.43 0.00 0.00 52.55 52.67 1a8r s ASP 79 Cb 0.13 -2.26 0.18 0.00 -0.30 0.00 0.00 42.92 40.67 1a8r s ASP 79 CO 0.76 -0.56 0.94 -1.22 -0.17 0.00 0.00 175.17 174.92 1a8r n TYR 80 N 5.76 0.00 0.43 -5.34 4.02 -1.26 -0.69 117.16 120.08 1a8r n TYR 80 Ca -0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.96 1a8r n TYR 80 Cb 0.48 -0.29 0.49 0.00 -0.02 0.00 0.00 39.34 40.00 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 2.17 1.00 -0.56 -0.72 0.00 -1.92 -1.74 119.26 117.50 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 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 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 -2.32 4.28 -4.77 0.00 3.02 0.13 -4.98 115.26 110.63 1a8r n ASN 82 Ca 0.03 -2.40 -0.39 0.00 -0.03 0.00 0.00 54.58 51.79 1a8r n ASN 82 Cb 0.28 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.74 2.99 0.53 3.10 5.36 -0.65 -4.96 117.98 122.60 1a8r s PHE 83 Ca 0.45 1.49 -0.21 0.00 -0.96 0.00 0.00 56.93 57.71 1a8r s PHE 83 Cb 0.29 -3.53 -0.06 0.00 -0.34 0.00 0.00 43.02 39.39 1a8r s PHE 83 CO 0.22 -1.64 1.19 -1.25 -1.46 0.00 0.00 175.22 172.28 1a8r s PRO 84 N -2.18 3.37 -0.25 10.12 0.04 -1.26 -4.96 135.00 139.87 1a8r s PRO 84 Ca 0.56 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 1a8r s PRO 84 Cb -0.35 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 1a8r s PRO 84 CO 0.44 -0.88 1.43 0.15 0.04 0.00 0.00 177.00 178.18 1a8r s LYS 85 N -3.06 3.90 -0.07 4.56 1.02 -1.26 -4.92 119.74 119.91 1a8r s LYS 85 Ca 0.71 1.47 -0.21 0.00 0.02 0.00 0.00 55.97 57.97 1a8r s LYS 85 Cb -0.29 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 1a8r s LYS 85 CO 0.33 -1.15 0.58 0.42 -0.92 0.00 0.00 175.35 174.62 1a8r s ILE 86 N 4.62 5.08 -0.03 2.17 -1.09 -1.26 -4.94 121.20 125.74 1a8r s ILE 86 Ca 0.63 1.20 0.04 0.00 -2.23 0.00 0.00 60.65 60.28 1a8r s ILE 86 Cb -0.21 -3.92 -0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1a8r s ILE 86 CO 0.25 0.32 -0.13 0.42 -1.23 0.00 0.00 174.94 174.57 1a8r s THR 87 N 0.50 1.09 0.17 2.92 -4.23 -1.26 -5.09 115.64 109.74 1a8r s THR 87 Ca 0.31 -0.54 0.03 0.00 -1.18 0.00 0.00 61.69 60.31 1a8r s THR 87 Cb -0.17 -0.94 -0.05 0.00 1.34 0.00 0.00 72.50 72.68 1a8r s THR 87 CO 0.15 0.32 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.76 1a8r s LEU 88 N 0.04 2.26 0.09 4.79 1.43 -1.26 -1.45 118.68 124.58 1a8r s LEU 88 Ca -0.02 -1.13 0.03 0.00 -1.03 0.00 0.00 54.13 51.98 1a8r s LEU 88 Cb -0.09 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 1a8r s LEU 88 CO 0.01 -0.50 -0.08 0.27 0.23 0.00 0.00 176.35 176.28 1a8r s ILE 89 N -3.54 0.77 0.25 -0.59 -4.36 0.08 -4.95 121.20 108.87 1a8r s ILE 89 Ca 0.22 -1.68 -0.30 0.00 -0.26 0.00 0.00 60.65 58.63 1a8r s ILE 89 Cb 0.05 -1.37 -0.10 0.00 1.25 0.00 0.00 42.46 42.29 1a8r s ILE 89 CO 0.03 -0.66 1.46 -0.70 0.24 0.00 0.00 174.94 175.31 1a8r s GLU 90 N -3.04 4.25 -1.19 0.37 2.12 -1.26 -0.53 118.70 119.41 1a8r s GLU 90 Ca 0.06 2.34 -0.08 0.00 0.36 0.00 0.00 54.97 57.65 1a8r s GLU 90 Cb -0.01 -3.10 -0.09 0.00 0.26 0.00 0.00 34.13 31.20 1a8r s GLU 90 CO -0.02 -0.45 2.64 -1.71 -0.54 0.00 0.00 175.26 175.18 1a8r n ASN 91 N 2.40 6.86 0.24 -1.70 5.15 -0.29 -4.46 115.26 123.45 1a8r n ASN 91 Ca 0.07 -2.45 0.10 0.00 -0.60 0.00 0.00 54.58 51.70 1a8r n ASN 91 Cb 0.40 -1.34 0.58 0.00 -0.53 0.00 0.00 39.78 38.89 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 5.37 0.00 0.00 1.20 1.57 -1.89 -1.09 116.57 121.73 1a8r h LYS 92 Ca 0.66 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.44 1a8r h LYS 92 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1a8r h LYS 92 CO 1.51 0.20 -0.01 0.52 -0.57 0.00 0.00 179.45 181.10 1a8r h MET 93 N 0.00 0.00 -5.24 3.15 2.86 -2.00 -3.46 114.93 110.24 1a8r h MET 93 Ca -0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 1a8r h MET 93 Cb 0.51 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.31 1a8r h MET 93 CO 0.03 0.01 -0.63 1.63 1.06 0.00 0.00 176.91 179.00 1a8r n LYS 94 N -3.12 -6.47 -2.54 1.72 5.02 -0.41 -4.94 118.16 107.41 1a8r n LYS 94 Ca -0.01 0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 56.60 1a8r n LYS 94 Cb 0.23 -5.47 -0.03 0.00 -0.02 0.00 0.00 35.03 29.75 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 -3.30 4.46 -0.12 -0.18 1.01 -1.26 -4.89 120.40 116.12 1a8r s VAL 95 Ca 0.27 1.76 0.17 0.00 0.00 0.00 0.00 61.98 64.19 1a8r s VAL 95 Cb -0.12 -4.13 0.42 0.00 0.00 0.00 0.00 36.38 32.54 1a8r s VAL 95 CO 0.64 -0.03 1.19 -0.90 0.00 0.00 0.00 175.10 176.01 1a8r n ASP 96 N 5.40 1.40 -4.31 3.32 5.75 -1.26 -4.25 116.55 122.59 1a8r n ASP 96 Ca 0.11 -3.07 -0.23 0.00 -0.01 0.00 0.00 54.79 51.59 1a8r n ASP 96 Cb 0.47 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 40.01 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 -1.83 1.21 0.36 0.11 0.41 -1.26 -4.95 118.70 112.75 1a8r s GLU 97 Ca 0.36 -1.30 -0.27 0.00 -0.41 0.00 0.00 54.97 53.35 1a8r s GLU 97 Cb 0.37 -1.36 -0.09 0.00 -1.78 0.00 0.00 34.13 31.27 1a8r s GLU 97 CO -0.11 0.29 1.22 0.00 -0.49 0.00 0.00 175.26 176.18 1a8r s MET 98 N -2.41 4.21 -0.24 1.61 0.23 -1.26 -4.28 119.30 117.16 1a8r s MET 98 Ca 0.12 2.00 -0.07 0.00 -1.03 0.00 0.00 55.69 56.71 1a8r s MET 98 Cb -0.08 -2.88 -0.03 0.00 -1.53 0.00 0.00 34.83 30.32 1a8r s MET 98 CO 0.06 -0.23 0.05 0.08 -2.03 0.00 0.00 175.02 172.95 1a8r s VAL 99 N -1.27 4.18 -0.13 5.16 1.01 0.11 -4.91 120.40 124.55 1a8r s VAL 99 Ca 0.53 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1a8r s VAL 99 Cb -0.35 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 1a8r s VAL 99 CO 0.45 0.36 -0.14 -0.89 0.00 0.00 0.00 175.10 174.88 1a8r s THR 100 N 1.55 2.99 -0.32 3.92 2.01 -1.26 -1.97 115.64 122.57 1a8r s THR 100 Ca 0.06 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1a8r s THR 100 Cb -0.15 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 70.16 1a8r s THR 100 CO 0.03 0.53 0.05 -0.69 -0.69 0.00 0.00 174.62 173.84 1a8r s VAL 101 N 0.35 3.36 0.31 3.82 1.01 0.58 -4.99 120.40 124.83 1a8r s VAL 101 Ca -0.11 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 60.68 1a8r s VAL 101 Cb -0.16 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1a8r s VAL 101 CO 0.06 -0.13 0.33 0.00 0.00 0.00 0.00 175.10 175.36 1a8r s ARG 102 N 1.33 2.94 -1.49 2.72 1.70 -1.26 -1.07 118.95 123.81 1a8r s ARG 102 Ca -0.03 -1.12 -0.06 0.00 -0.47 0.00 0.00 55.73 54.04 1a8r s ARG 102 Cb -0.20 -2.62 0.05 0.00 -0.57 0.00 0.00 34.95 31.61 1a8r s ARG 102 CO 0.01 0.18 0.61 -0.25 -1.08 0.00 0.00 175.30 174.76 1a8r n ASP 103 N -1.41 -1.71 -4.70 -2.89 8.00 -1.10 -4.92 116.55 107.81 1a8r n ASP 103 Ca -0.03 -0.96 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 1a8r n ASP 103 Cb 0.59 -3.18 -0.03 0.00 -0.02 0.00 0.00 41.12 38.47 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 -3.68 4.13 0.17 0.53 1.01 -0.13 -4.84 121.20 118.39 1a8r s ILE 104 Ca 0.27 1.51 -0.31 0.00 0.00 0.00 0.00 60.65 62.12 1a8r s ILE 104 Cb -0.14 -3.97 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 1a8r s ILE 104 CO 0.88 0.07 1.55 -0.89 0.00 0.00 0.00 174.94 176.55 1a8r s THR 105 N 1.55 2.65 -0.12 2.92 2.01 -1.26 -1.13 115.64 122.26 1a8r s THR 105 Ca 0.58 0.47 -0.01 0.00 0.31 0.00 0.00 61.69 63.04 1a8r s THR 105 Cb -0.27 -3.30 0.04 0.00 0.01 0.00 0.00 72.50 68.97 1a8r s THR 105 CO 0.26 0.04 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.00 1a8r s LEU 106 N 1.05 0.97 -0.20 4.42 0.20 -0.42 -4.78 118.68 119.91 1a8r s LEU 106 Ca 0.69 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 55.13 1a8r s LEU 106 Cb -0.43 -0.61 0.02 0.00 -0.43 0.00 0.00 46.19 44.74 1a8r s LEU 106 CO 0.32 -0.21 -0.15 0.42 -0.29 0.00 0.00 176.35 176.44 1a8r s THR 107 N 1.86 2.37 0.23 3.68 -4.23 -1.26 -0.68 115.64 117.60 1a8r s THR 107 Ca 0.03 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1a8r s THR 107 Cb -0.14 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 1a8r s THR 107 CO -0.07 0.44 0.17 -0.24 -0.54 0.00 0.00 174.62 174.38 1a8r n SER 108 N 4.64 -0.18 -3.91 3.99 2.88 -0.14 -4.22 113.62 116.69 1a8r n SER 108 Ca -0.20 -2.43 -0.20 0.00 -1.33 0.00 0.00 58.87 54.71 1a8r n SER 108 Cb 0.49 1.02 -0.16 0.00 -0.75 0.00 0.00 64.21 64.81 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 -2.83 0.60 0.18 2.46 2.01 -1.25 -0.48 115.64 116.33 1a8r s THR 109 Ca 0.24 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 1a8r s THR 109 Cb 0.01 -0.61 -0.08 0.00 0.01 0.00 0.00 72.50 71.84 1a8r s THR 109 CO 0.17 0.24 1.07 0.00 -0.69 0.00 0.00 174.62 175.41 1a8r h GLU 111 N 5.07 0.00 -0.32 0.00 4.11 -1.50 0.21 114.58 122.15 1a8r h GLU 111 Ca -0.44 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.81 1a8r h GLU 111 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1a8r h GLU 111 CO 0.72 0.00 -0.49 0.66 0.07 0.00 0.00 179.01 179.97 1a8r h SER 112 N 0.00 0.99 0.00 3.06 4.64 -1.92 -3.38 113.55 116.94 1a8r h SER 112 Ca 0.00 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1a8r h SER 112 Cb 0.50 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1a8r h SER 112 CO 0.00 1.30 0.00 1.41 -0.87 0.00 0.00 176.83 178.67 1a8r n HIS 113 N -4.02 0.00 -3.59 4.77 8.25 -1.22 -5.02 115.22 114.38 1a8r n HIS 113 Ca -0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.20 1a8r n HIS 113 Cb 0.60 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.78 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 -0.05 -2.52 -4.33 4.41 3.01 0.72 -5.01 117.46 113.69 1a8r n PHE 114 Ca 0.00 0.97 -0.27 0.00 1.01 0.00 0.00 57.45 59.16 1a8r n PHE 114 Cb 0.10 -4.88 -0.10 0.00 -0.01 0.00 0.00 39.48 34.58 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 -3.36 2.91 0.16 -4.37 1.01 -1.21 -4.87 120.40 110.66 1a8r s VAL 115 Ca 0.36 -1.77 -0.34 0.00 0.00 0.00 0.00 61.98 60.24 1a8r s VAL 115 Cb -0.16 -2.42 -0.15 0.00 0.00 0.00 0.00 36.38 33.64 1a8r s VAL 115 CO 0.75 -0.10 1.32 0.41 0.00 0.00 0.00 175.10 177.48 1a8r n THR 116 N 0.16 0.50 -4.06 3.92 -1.04 -1.26 -0.58 114.28 111.92 1a8r n THR 116 Ca -0.12 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.46 1a8r n THR 116 Cb 0.55 -1.04 -0.16 0.00 -1.82 0.00 0.00 70.33 67.86 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 0.20 1.83 -0.29 12.58 1.01 0.37 -1.23 121.20 135.67 1a8r s ILE 117 Ca 0.77 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 1a8r s ILE 117 Cb -0.82 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 39.93 1a8r s ILE 117 CO 0.48 0.38 0.01 -0.62 0.00 0.00 0.00 174.94 175.19 1a8r s ASP 118 N 1.36 4.82 0.03 3.58 2.15 0.07 -0.96 116.67 127.72 1a8r s ASP 118 Ca 0.02 -1.06 0.00 0.00 0.43 0.00 0.00 52.55 51.94 1a8r s ASP 118 Cb -0.14 -1.74 -0.00 0.00 -0.30 0.00 0.00 42.92 40.73 1a8r s ASP 118 CO -0.10 -0.22 0.04 0.61 -0.17 0.00 0.00 175.17 175.32 1a8r n GLY 119 N 4.70 3.36 2.87 2.66 0.00 0.14 -1.14 105.19 117.78 1a8r n GLY 119 Ca -0.14 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.10 0.04 0.18 1.61 1.02 0.87 -1.31 119.74 120.06 1a8r s LYS 120 Ca 0.03 0.27 0.05 0.00 0.02 0.00 0.00 55.97 56.34 1a8r s LYS 120 Cb 0.00 -0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 1a8r s LYS 120 CO 0.02 -0.14 0.19 0.00 -0.92 0.00 0.00 175.35 174.50 1a8r s ALA 121 N 0.98 3.68 -0.09 5.17 0.00 -0.28 -0.99 121.76 130.21 1a8r s ALA 121 Ca -0.08 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 1a8r s ALA 121 Cb -0.10 -1.46 0.04 0.00 0.00 0.00 0.00 23.12 21.59 1a8r s ALA 121 CO -0.04 0.45 0.02 0.99 0.00 0.00 0.00 175.76 177.18 1a8r s THR 122 N -1.83 0.30 -0.08 0.00 2.01 0.08 -0.95 115.64 115.18 1a8r s THR 122 Ca 0.32 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.39 1a8r s THR 122 Cb -0.10 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 1a8r s THR 122 CO 0.25 0.14 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.42 1a8r s VAL 123 N 1.99 2.38 0.08 3.82 1.01 -0.23 -1.34 120.40 128.11 1a8r s VAL 123 Ca 0.04 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1a8r s VAL 123 Cb -0.13 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1a8r s VAL 123 CO -0.06 0.56 -0.10 0.00 0.00 0.00 0.00 175.10 175.50 1a8r s ALA 124 N 0.01 0.98 0.06 5.51 0.00 -0.66 -0.31 121.76 127.36 1a8r s ALA 124 Ca -0.07 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.58 1a8r s ALA 124 Cb -0.15 0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.05 1a8r s ALA 124 CO 0.05 0.01 0.62 1.52 0.00 0.00 0.00 175.76 177.96 1a8r s TYR 125 N -1.93 -0.58 -0.35 0.00 1.13 -0.83 -0.80 117.35 113.99 1a8r s TYR 125 Ca -0.00 0.67 -0.09 0.00 -1.41 0.00 0.00 57.07 56.23 1a8r s TYR 125 Cb -0.06 0.48 0.02 0.00 -1.10 0.00 0.00 41.96 41.30 1a8r s TYR 125 CO 0.00 -0.73 0.16 0.42 -2.51 0.00 0.00 175.55 172.90 1a8r s ILE 126 N -2.58 4.38 0.27 -3.49 1.01 -0.86 -0.71 121.20 119.21 1a8r s ILE 126 Ca -0.04 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.50 1a8r s ILE 126 Cb -0.01 -3.39 -0.12 0.00 0.01 0.00 0.00 42.46 38.96 1a8r s ILE 126 CO -0.03 -0.13 1.58 -2.65 0.00 0.00 0.00 174.94 173.71 1a8r n PRO 127 N 4.95 2.58 0.00 2.79 -0.02 -1.26 -4.86 135.00 139.18 1a8r n PRO 127 Ca -0.13 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1a8r n PRO 127 Cb 0.47 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 2.37 0.00 0.02 -0.52 4.81 -1.26 -4.56 118.16 119.02 1a8r n LYS 128 Ca 0.10 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.65 1a8r n LYS 128 Cb 0.35 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.30 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 0.34 -4.16 3.14 8.00 -1.26 -4.79 116.55 117.82 1a8r n ASP 129 Ca 0.00 -0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.36 1a8r n ASP 129 Cb 0.00 1.43 -0.10 0.00 -0.02 0.00 0.00 41.12 42.43 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 -4.51 1.11 -0.14 -2.24 1.04 -1.26 -1.13 113.70 106.57 1a8r s SER 130 Ca -0.04 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1a8r s SER 130 Cb 0.13 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1a8r s SER 130 CO 0.87 -0.43 -0.14 -0.69 0.98 0.00 0.00 173.24 173.82 1a8r s VAL 131 N -3.35 2.91 0.23 5.02 1.01 0.31 -4.74 120.40 121.78 1a8r s VAL 131 Ca 0.09 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1a8r s VAL 131 Cb 0.03 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.12 1a8r s VAL 131 CO -0.04 0.52 0.58 -0.51 0.00 0.00 0.00 175.10 175.65 1a8r s ILE 132 N 0.48 4.87 0.12 2.22 2.07 -1.26 -0.75 121.20 128.95 1a8r s ILE 132 Ca -0.10 0.64 -0.31 0.00 -1.41 0.00 0.00 60.65 59.47 1a8r s ILE 132 Cb -0.16 -3.65 -0.10 0.00 0.13 0.00 0.00 42.46 38.68 1a8r s ILE 132 CO 0.05 -0.01 1.80 -0.83 -1.91 0.00 0.00 174.94 174.03 1a8r s GLY 133 N -2.19 1.36 0.23 1.50 0.00 -0.53 -4.89 107.32 102.80 1a8r s GLY 133 Ca 0.46 1.43 -0.12 0.00 0.00 0.00 0.00 44.72 46.49 1a8r s GLY 133 CO 0.20 3.09 1.61 1.41 0.00 0.00 0.00 173.10 179.41 1a8r h LEU 134 N 8.46 -0.71 -2.47 0.66 3.38 -1.95 -0.00 115.31 122.69 1a8r h LEU 134 Ca -0.45 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1a8r h LEU 134 Cb 1.21 0.46 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1a8r h LEU 134 CO 0.95 -0.25 -0.01 0.77 0.09 0.00 0.00 178.44 179.99 1a8r h SER 135 N -0.01 0.00 -0.76 -0.43 4.64 -1.99 -2.26 113.55 112.75 1a8r h SER 135 Ca 0.35 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.64 1a8r h SER 135 Cb 0.54 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.59 1a8r h SER 135 CO -0.75 0.01 0.38 0.11 -0.87 0.00 0.00 176.83 175.71 1a8r h LYS 136 N 0.00 1.09 -0.47 4.77 1.79 -1.35 -0.08 116.57 122.32 1a8r h LYS 136 Ca -0.00 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1a8r h LYS 136 Cb 0.04 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 1a8r h LYS 136 CO 0.00 0.83 0.30 0.82 -1.08 0.00 0.00 179.45 180.33 1a8r h ILE 137 N 1.09 1.13 0.05 1.86 2.04 -1.46 0.55 117.51 122.77 1a8r h ILE 137 Ca 0.27 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1a8r h ILE 137 Cb 0.10 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1a8r h ILE 137 CO -0.04 0.13 -0.03 0.78 0.00 0.00 0.00 178.15 179.00 1a8r h ASN 138 N 0.64 -0.08 -0.69 1.72 2.35 -1.45 -1.21 115.58 116.86 1a8r h ASN 138 Ca 0.17 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1a8r h ASN 138 Cb -0.04 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1a8r h ASN 138 CO -0.03 -0.05 0.34 0.03 -1.65 0.00 0.00 177.43 176.06 1a8r h ARG 139 N -0.08 1.01 -0.29 0.81 3.08 -0.74 -0.78 114.38 117.39 1a8r h ARG 139 Ca -0.00 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1a8r h ARG 139 Cb 0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1a8r h ARG 139 CO 0.00 0.78 -0.05 0.82 -1.07 0.00 0.00 179.97 180.46 1a8r h ILE 140 N 1.01 1.28 -0.11 2.04 2.04 -0.66 0.21 117.51 123.31 1a8r h ILE 140 Ca 0.25 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1a8r h ILE 140 Cb 0.11 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1a8r h ILE 140 CO -0.03 0.34 -0.03 0.58 0.00 0.00 0.00 178.15 179.00 1a8r h VAL 141 N 0.32 0.87 -0.24 1.67 2.07 -0.90 -2.34 116.25 117.70 1a8r h VAL 141 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 1a8r h VAL 141 Cb 0.52 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1a8r h VAL 141 CO 0.03 0.00 -0.09 1.56 0.02 0.00 0.00 177.57 179.08 1a8r h GLN 142 N -0.01 0.39 0.25 1.57 1.08 -1.00 -1.44 115.11 115.95 1a8r h GLN 142 Ca 0.06 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1a8r h GLN 142 Cb 0.09 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1a8r h GLN 142 CO -0.12 0.49 -0.14 0.35 -0.95 0.00 0.00 178.83 178.46 1a8r h PHE 143 N 0.37 -0.37 0.00 2.96 3.57 -0.05 -1.26 116.94 122.15 1a8r h PHE 143 Ca 0.07 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1a8r h PHE 143 Cb 0.39 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1a8r h PHE 143 CO 0.01 -0.23 -0.30 0.74 -2.23 0.00 0.00 178.31 176.31 1a8r h PHE 144 N -0.37 0.00 -0.01 0.41 0.04 -1.34 -2.92 116.94 112.74 1a8r h PHE 144 Ca -0.03 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.61 1a8r h PHE 144 Cb 0.30 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 1a8r h PHE 144 CO -0.08 0.30 -0.63 0.00 -0.60 0.00 0.00 178.31 177.29 1a8r h ALA 145 N 1.70 0.92 -0.10 2.45 0.00 -0.88 -3.32 119.26 120.04 1a8r h ALA 145 Ca -0.00 -0.57 -0.69 0.00 0.00 0.00 0.00 54.91 53.65 1a8r h ALA 145 Cb 0.67 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1a8r h ALA 145 CO 0.04 0.78 3.55 1.04 0.00 0.00 0.00 179.25 184.66 1a8r n GLN 146 N -3.80 3.71 -3.54 0.00 1.13 -0.51 -4.17 117.38 110.19 1a8r n GLN 146 Ca -0.01 -2.44 -0.11 0.00 -1.94 0.00 0.00 57.00 52.49 1a8r n GLN 146 Cb 0.63 -2.85 -0.04 0.00 0.11 0.00 0.00 30.24 28.10 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 1.85 1.16 0.04 -1.09 0.52 -1.12 -0.45 118.95 119.86 1a8r s ARG 147 Ca 0.64 -0.57 -0.31 0.00 -0.52 0.00 0.00 55.73 54.98 1a8r s ARG 147 Cb 0.17 0.52 -0.06 0.00 0.52 0.00 0.00 34.95 36.10 1a8r s ARG 147 CO -0.07 -0.48 1.34 -2.14 0.02 0.00 0.00 175.30 173.98 1a8r s PRO 148 N -3.68 4.33 0.32 3.54 0.02 -1.26 -3.84 135.00 134.42 1a8r s PRO 148 Ca 0.02 1.94 0.04 0.00 0.02 0.00 0.00 61.00 63.02 1a8r s PRO 148 Cb 0.00 -3.43 -0.06 0.00 0.02 0.00 0.00 34.50 31.03 1a8r s PRO 148 CO -0.12 -0.46 0.04 -0.65 -0.33 0.00 0.00 177.00 175.48 1a8r s GLN 149 N 1.73 1.64 -0.18 5.54 -1.52 0.15 -4.69 119.66 122.33 1a8r s GLN 149 Ca 0.63 -1.90 -0.01 0.00 -1.95 0.00 0.00 55.36 52.12 1a8r s GLN 149 Cb -0.32 -0.94 0.05 0.00 -0.22 0.00 0.00 33.01 31.58 1a8r s GLN 149 CO 0.28 -0.15 -0.02 0.08 -0.25 0.00 0.00 175.29 175.24 1a8r s VAL 150 N -3.23 0.92 0.30 1.09 1.01 -1.26 -1.37 120.40 117.86 1a8r s VAL 150 Ca 0.35 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1a8r s VAL 150 Cb 0.08 -1.24 0.35 0.00 0.00 0.00 0.00 36.38 35.57 1a8r s VAL 150 CO 0.15 -0.03 1.62 -0.61 0.00 0.00 0.00 175.10 176.22 1a8r h GLN 151 N 8.15 0.12 -0.61 2.72 4.15 -1.99 0.19 115.11 127.84 1a8r h GLN 151 Ca -0.20 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.24 1a8r h GLN 151 Cb 1.11 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 1a8r h GLN 151 CO 0.37 0.08 0.41 0.93 -1.93 0.00 0.00 178.83 178.68 1a8r h GLU 152 N 0.12 0.73 0.20 1.69 3.07 -1.99 -0.90 114.58 117.51 1a8r h GLU 152 Ca 0.60 -0.04 -0.31 0.00 -0.50 0.00 0.00 59.36 59.10 1a8r h GLU 152 Cb 1.26 -0.16 0.04 0.00 -0.84 0.00 0.00 28.75 29.04 1a8r h GLU 152 CO -0.75 0.48 -1.35 -0.09 -1.40 0.00 0.00 179.01 175.90 1a8r h ARG 153 N 0.75 0.56 -0.35 2.33 2.43 -1.11 -3.24 114.38 115.75 1a8r h ARG 153 Ca 0.24 -0.87 0.07 0.00 -0.81 0.00 0.00 59.98 58.61 1a8r h ARG 153 Cb 0.04 0.31 -0.07 0.00 -0.42 0.00 0.00 29.97 29.83 1a8r h ARG 153 CO -0.06 1.41 -0.10 1.25 -1.51 0.00 0.00 179.97 180.96 1a8r h LEU 154 N 0.16 -0.36 -0.82 3.80 5.85 -0.22 -0.25 115.31 123.48 1a8r h LEU 154 Ca -0.23 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1a8r h LEU 154 Cb 2.05 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 43.26 1a8r h LEU 154 CO 0.26 -0.13 0.54 0.74 -0.34 0.00 0.00 178.44 179.51 1a8r h THR 155 N -0.02 1.20 -0.01 1.05 2.02 -1.32 -2.30 112.91 113.53 1a8r h THR 155 Ca 0.17 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1a8r h THR 155 Cb 0.27 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1a8r h THR 155 CO -0.37 0.20 0.00 1.56 0.37 0.00 0.00 175.52 177.28 1a8r h GLN 156 N 1.10 0.02 -0.14 6.66 1.08 -1.42 -2.41 115.11 119.99 1a8r h GLN 156 Ca 0.31 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.54 1a8r h GLN 156 Cb -0.10 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.28 1a8r h GLN 156 CO -0.07 0.17 -0.13 1.96 -0.95 0.00 0.00 178.83 179.80 1a8r h GLN 157 N -0.14 -0.15 -0.42 1.46 4.20 -0.85 -1.04 115.11 118.18 1a8r h GLN 157 Ca 0.00 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1a8r h GLN 157 Cb 0.16 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1a8r h GLN 157 CO -0.00 -0.10 0.17 0.82 -0.67 0.00 0.00 178.83 179.05 1a8r h ILE 158 N -0.15 0.90 0.22 2.54 2.04 -1.41 0.29 117.51 121.93 1a8r h ILE 158 Ca 0.09 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1a8r h ILE 158 Cb 0.29 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1a8r h ILE 158 CO -0.23 0.06 -0.39 0.25 0.00 0.00 0.00 178.15 177.84 1a8r h LEU 159 N 0.34 -1.13 -0.17 1.44 5.85 -0.95 -0.26 115.31 120.44 1a8r h LEU 159 Ca 0.19 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1a8r h LEU 159 Cb 0.15 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1a8r h LEU 159 CO -0.18 -0.50 -0.01 0.40 -0.34 0.00 0.00 178.44 177.82 1a8r h ILE 160 N -0.69 0.87 -0.49 4.05 1.08 -0.93 0.17 117.51 121.57 1a8r h ILE 160 Ca 0.00 -0.02 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 1a8r h ILE 160 Cb 0.68 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 35.19 1a8r h ILE 160 CO -0.17 0.01 0.12 0.00 -0.69 0.00 0.00 178.15 177.41 1a8r h ALA 161 N 1.15 0.56 0.06 1.87 0.00 -0.75 -0.42 119.26 121.73 1a8r h ALA 161 Ca 0.08 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1a8r h ALA 161 Cb 0.10 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a8r h ALA 161 CO -0.14 -0.29 -0.03 -0.07 0.00 0.00 0.00 179.25 178.72 1a8r h LEU 162 N 0.26 -0.06 -0.51 0.00 3.38 -0.56 -1.76 115.31 116.06 1a8r h LEU 162 Ca 0.25 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1a8r h LEU 162 Cb 0.31 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 1a8r h LEU 162 CO -0.31 0.18 -0.18 1.56 0.09 0.00 0.00 178.44 179.78 1a8r h GLN 163 N -0.31 -0.06 -0.09 1.13 4.20 -0.52 0.19 115.11 119.65 1a8r h GLN 163 Ca -0.01 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1a8r h GLN 163 Cb 0.28 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1a8r h GLN 163 CO 0.01 -0.04 -0.25 1.15 -0.67 0.00 0.00 178.83 179.03 1a8r h THR 164 N -0.06 0.42 -0.55 -0.54 2.02 -0.98 0.90 112.91 114.11 1a8r h THR 164 Ca 0.24 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.35 1a8r h THR 164 Cb 0.44 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1a8r h THR 164 CO -0.56 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.31 1a8r h LEU 165 N -0.34 0.87 -0.20 2.58 3.38 -0.27 -3.07 115.31 118.26 1a8r h LEU 165 Ca 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1a8r h LEU 165 Cb 0.46 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1a8r h LEU 165 CO -0.28 0.90 -0.35 0.18 0.09 0.00 0.00 178.44 178.99 1a8r n LEU 166 N -4.22 0.65 -3.30 1.67 4.77 0.53 -4.95 117.00 112.15 1a8r n LEU 166 Ca 0.03 -0.06 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 1a8r n LEU 166 Cb 0.29 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1a8r n LEU 166 CO 0.42 0.14 0.21 0.61 -1.33 0.00 0.00 177.39 177.43 1a8r n GLY 167 N 1.42 -0.44 3.30 -0.72 0.00 0.28 -4.73 105.19 104.30 1a8r n GLY 167 Ca 0.09 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.28 0.04 -0.89 2.61 2.01 -1.00 -4.92 115.64 110.22 1a8r s THR 168 Ca 0.52 -0.33 0.24 0.00 0.31 0.00 0.00 61.69 62.43 1a8r s THR 168 Cb -0.23 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 1a8r s THR 168 CO 0.64 -0.18 1.25 0.59 -0.69 0.00 0.00 174.62 176.23 1a8r n ASN 169 N 1.40 0.62 -4.49 3.53 3.02 -1.26 -4.29 115.26 113.79 1a8r n ASN 169 Ca -0.20 -0.33 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 1a8r n ASN 169 Cb 0.56 0.47 -0.01 0.00 -0.61 0.00 0.00 39.78 40.19 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 -1.65 4.52 -3.88 6.41 3.02 -1.26 0.41 115.26 122.83 1a8r n ASN 170 Ca 0.04 -2.88 -0.11 0.00 -0.03 0.00 0.00 54.58 51.61 1a8r n ASN 170 Cb 0.36 -1.73 -0.11 0.00 -0.61 0.00 0.00 39.78 37.70 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 5.19 0.07 -0.00 2.41 1.01 -1.26 -2.04 120.40 125.79 1a8r s VAL 171 Ca 0.56 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1a8r s VAL 171 Cb 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 1a8r s VAL 171 CO 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 175.10 174.84 1a8r s ALA 172 N -1.06 0.16 -0.02 5.51 0.00 0.02 -0.25 121.76 126.11 1a8r s ALA 172 Ca -0.12 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1a8r s ALA 172 Cb -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1a8r s ALA 172 CO 0.01 0.03 -0.06 0.08 0.00 0.00 0.00 175.76 175.82 1a8r s VAL 173 N -0.08 0.57 -0.00 0.00 1.01 -0.46 -1.66 120.40 119.78 1a8r s VAL 173 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1a8r s VAL 173 Cb -0.01 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 1a8r s VAL 173 CO -0.00 0.19 -0.05 -0.55 0.00 0.00 0.00 175.10 174.68 1a8r s SER 174 N 0.26 0.62 -0.04 3.32 0.15 -0.45 -0.49 113.70 117.08 1a8r s SER 174 Ca -0.03 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.53 1a8r s SER 174 Cb -0.08 -0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 1a8r s SER 174 CO 0.00 0.06 -0.05 -0.63 1.20 0.00 0.00 173.24 173.83 1a8r s ILE 175 N -0.13 0.52 -0.13 6.45 1.01 -0.00 -0.74 121.20 128.17 1a8r s ILE 175 Ca 0.02 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1a8r s ILE 175 Cb -0.02 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.91 1a8r s ILE 175 CO -0.00 0.21 -0.20 -0.62 0.00 0.00 0.00 174.94 174.33 1a8r s ASP 176 N 0.78 3.34 0.10 3.58 -1.08 -0.16 -1.00 116.67 122.23 1a8r s ASP 176 Ca -0.10 -0.53 -0.12 0.00 -0.52 0.00 0.00 52.55 51.27 1a8r s ASP 176 Cb -0.13 -1.49 0.02 0.00 -1.46 0.00 0.00 42.92 39.86 1a8r s ASP 176 CO 0.00 0.11 0.28 0.00 0.52 0.00 0.00 175.17 176.08 1a8r s ALA 177 N 0.67 -0.55 -0.15 3.66 0.00 -0.28 -0.09 121.76 125.02 1a8r s ALA 177 Ca -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1a8r s ALA 177 Cb -0.16 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 1a8r s ALA 177 CO 0.02 -0.55 -0.11 0.08 0.00 0.00 0.00 175.76 175.20 1a8r s VAL 178 N -3.67 3.19 -0.29 0.00 1.01 -0.29 -0.43 120.40 119.92 1a8r s VAL 178 Ca 0.03 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1a8r s VAL 178 Cb 0.03 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1a8r s VAL 178 CO -0.10 0.51 0.14 -1.00 0.00 0.00 0.00 175.10 174.65 1a8r s HIS 179 N 0.51 3.16 -0.66 5.22 3.76 -1.26 -0.75 115.29 125.27 1a8r s HIS 179 Ca -0.08 -0.44 0.20 0.00 -0.15 0.00 0.00 55.06 54.60 1a8r s HIS 179 Cb -0.15 -2.34 0.84 0.00 1.11 0.00 0.00 32.58 32.04 1a8r s HIS 179 CO 0.04 -0.39 1.61 0.66 -0.85 0.00 0.00 174.74 175.80 1a8r n TYR 180 N 4.98 0.51 0.60 1.40 4.01 -0.36 -1.39 117.16 126.91 1a8r n TYR 180 Ca -0.14 0.20 0.12 0.00 -0.16 0.00 0.00 57.90 57.92 1a8r n TYR 180 Cb 0.50 -0.83 0.45 0.00 -0.31 0.00 0.00 39.34 39.16 1a8r n TYR 180 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a8r n VAL 182 N -2.08 1.29 -0.04 0.00 0.31 -0.59 -4.35 118.33 112.87 1a8r n VAL 182 Ca 0.05 -0.47 -0.14 0.00 -0.01 0.00 0.00 64.34 63.77 1a8r n VAL 182 Cb 0.34 -1.36 -0.12 0.00 -0.91 0.00 0.00 33.84 31.79 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 -0.11 0.00 -0.58 5.55 3.64 -1.15 0.14 116.57 124.05 1a8r h LYS 183 Ca -0.52 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1a8r h LYS 183 Cb 1.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 1a8r h LYS 183 CO -0.12 0.77 0.00 0.00 -2.27 0.00 0.00 179.45 177.83 1a8r n ALA 184 N -2.49 3.24 -3.77 5.00 0.00 0.02 -3.72 120.51 118.79 1a8r n ALA 184 Ca -0.09 -1.73 -0.06 0.00 0.00 0.00 0.00 53.44 51.55 1a8r n ALA 184 Cb 0.38 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.13 1.51 4.79 0.00 3.52 -1.23 -4.96 118.95 120.45 1a8r s ARG 185 Ca 0.50 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 1a8r s ARG 185 Cb 0.34 0.53 0.00 0.00 -1.56 0.00 0.00 34.95 34.27 1a8r s ARG 185 CO 0.21 -0.69 0.00 0.41 -0.81 0.00 0.00 175.30 174.42 1a8r n GLY 186 N -0.45 1.71 0.17 8.12 0.00 -1.26 -0.26 105.19 113.22 1a8r n GLY 186 Ca -0.06 0.43 0.13 0.00 0.00 0.00 0.00 46.02 46.52 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 -6.75 -0.61 6.09 -1.84 -3.47 117.51 110.93 1a8r h ILE 187 Ca 0.00 -0.33 -0.55 0.00 -1.37 0.00 0.00 64.86 62.61 1a8r h ILE 187 Cb 0.00 1.15 -0.05 0.00 0.47 0.00 0.00 36.82 38.39 1a8r h ILE 187 CO 0.00 0.00 -0.97 0.54 -3.07 0.00 0.00 178.15 174.65 1a8r n ARG 188 N -2.49 -1.17 -2.94 2.19 1.74 0.64 -4.89 116.66 109.75 1a8r n ARG 188 Ca 0.02 0.21 -0.43 0.00 -0.77 0.00 0.00 57.85 56.88 1a8r n ARG 188 Cb 0.26 -3.46 -0.05 0.00 -1.02 0.00 0.00 32.46 28.19 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 -3.87 6.40 0.47 0.55 -1.08 -0.08 -4.90 116.67 114.15 1a8r s ASP 189 Ca 0.29 -0.18 0.26 0.00 -0.52 0.00 0.00 52.55 52.40 1a8r s ASP 189 Cb -0.14 -2.39 0.84 0.00 -1.46 0.00 0.00 42.92 39.77 1a8r s ASP 189 CO 0.94 -0.98 1.79 0.00 0.52 0.00 0.00 175.17 177.44 1a8r h ALA 190 N 9.05 0.97 0.00 3.66 0.00 -1.87 -3.34 119.26 127.73 1a8r h ALA 190 Ca -0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1a8r h ALA 190 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1a8r h ALA 190 CO 0.99 0.13 -1.68 0.25 0.00 0.00 0.00 179.25 178.93 1a8r n THR 191 N -3.18 0.00 -1.81 0.00 -2.24 -1.26 -5.04 114.28 100.75 1a8r n THR 191 Ca 0.02 -0.37 -0.31 0.00 -2.27 0.00 0.00 64.05 61.12 1a8r n THR 191 Cb 0.44 0.21 0.02 0.00 -2.10 0.00 0.00 70.33 68.90 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 -3.86 6.01 0.03 3.42 1.04 -1.26 -5.08 113.70 114.00 1a8r s SER 192 Ca -0.05 1.45 -0.13 0.00 0.48 0.00 0.00 55.95 57.70 1a8r s SER 192 Cb 0.12 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.81 1a8r s SER 192 CO 0.73 -1.01 0.28 0.00 0.98 0.00 0.00 173.24 174.22 1a8r s ALA 193 N -3.16 -0.64 -0.10 5.32 0.00 -1.26 -4.80 121.76 117.11 1a8r s ALA 193 Ca 0.56 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1a8r s ALA 193 Cb -0.12 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1a8r s ALA 193 CO 0.54 -0.37 -0.12 0.99 0.00 0.00 0.00 175.76 176.79 1a8r s THR 194 N -2.30 3.15 -0.10 0.00 2.01 0.43 -4.93 115.64 113.91 1a8r s THR 194 Ca -0.07 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1a8r s THR 194 Cb -0.02 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1a8r s THR 194 CO -0.02 0.55 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.42 1a8r s THR 195 N -0.11 2.90 0.01 -0.82 2.01 -1.26 -1.13 115.64 117.24 1a8r s THR 195 Ca -0.01 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1a8r s THR 195 Cb -0.14 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1a8r s THR 195 CO 0.03 0.55 -0.10 0.42 -0.69 0.00 0.00 174.62 174.83 1a8r s THR 196 N -0.01 0.78 0.03 -0.82 -4.23 -0.17 -4.98 115.64 106.24 1a8r s THR 196 Ca -0.04 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1a8r s THR 196 Cb -0.14 -0.68 -0.02 0.00 1.34 0.00 0.00 72.50 73.00 1a8r s THR 196 CO 0.04 0.12 -0.09 0.42 -0.54 0.00 0.00 174.62 174.58 1a8r s THR 197 N -0.43 0.66 -0.26 3.99 -4.23 -1.26 -0.82 115.64 113.29 1a8r s THR 197 Ca 0.02 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1a8r s THR 197 Cb -0.05 -0.65 0.08 0.00 1.34 0.00 0.00 72.50 73.22 1a8r s THR 197 CO -0.00 -0.15 0.04 -0.44 -0.54 0.00 0.00 174.62 173.53 1a8r s SER 198 N -1.08 3.72 -0.27 3.99 0.01 0.36 -4.99 113.70 115.44 1a8r s SER 198 Ca -0.04 -1.33 -0.12 0.00 1.31 0.00 0.00 55.95 55.77 1a8r s SER 198 Cb -0.07 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.20 1a8r s SER 198 CO 0.00 -0.34 0.26 -0.76 0.41 0.00 0.00 173.24 172.81 1a8r s LEU 199 N 1.59 4.04 0.36 2.44 1.43 -1.26 -1.36 118.68 125.92 1a8r s LEU 199 Ca 0.03 0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 1a8r s LEU 199 Cb -0.18 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1a8r s LEU 199 CO -0.15 -0.08 0.30 -0.83 0.23 0.00 0.00 176.35 175.82 1a8r s GLY 200 N 1.59 1.90 0.00 -3.19 0.00 0.65 -4.34 107.32 103.93 1a8r s GLY 200 Ca 0.10 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1a8r s GLY 200 CO 0.10 -1.64 0.00 0.61 0.00 0.00 0.00 173.10 172.17 1a8r n GLY 201 N -1.39 1.97 0.26 0.20 0.00 0.16 -0.85 105.19 105.55 1a8r n GLY 201 Ca -0.01 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.49 0.99 3.38 -1.94 0.14 115.31 116.39 1a8r h LEU 202 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 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 0.08 -0.25 -0.26 0.09 0.00 0.00 178.44 178.11 1a8r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.25 0.28 116.94 117.14 1a8r h PHE 203 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1a8r h PHE 203 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1a8r h PHE 203 CO 0.00 0.25 -1.13 1.17 -0.60 0.00 0.00 178.31 177.99 1a8r n LYS 204 N -3.81 0.52 0.43 1.51 3.00 -0.71 -4.03 118.16 115.08 1a8r n LYS 204 Ca -0.02 0.48 -0.19 0.00 -0.00 0.00 0.00 58.31 58.59 1a8r n LYS 204 Cb 0.34 -1.66 -0.09 0.00 0.00 0.00 0.00 35.03 33.62 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 -0.92 -3.43 3.14 0.02 -0.71 -3.43 113.55 107.21 1a8r h SER 205 Ca -0.24 0.02 -0.61 0.00 -0.84 0.00 0.00 61.79 60.13 1a8r h SER 205 Cb 1.03 0.24 -0.10 0.00 0.14 0.00 0.00 62.40 63.70 1a8r h SER 205 CO -0.14 -0.63 0.33 -0.55 -1.14 0.00 0.00 176.83 174.71 1a8r s SER 206 N -4.26 6.65 0.42 3.07 0.15 0.99 -4.93 113.70 115.78 1a8r s SER 206 Ca -0.18 0.68 0.14 0.00 0.70 0.00 0.00 55.95 57.30 1a8r s SER 206 Cb 0.02 -2.39 0.91 0.00 -1.71 0.00 0.00 66.02 62.85 1a8r s SER 206 CO 0.58 -0.54 1.93 -0.61 1.20 0.00 0.00 173.24 175.80 1a8r h GLN 207 N 8.03 0.00 0.65 5.44 4.15 -1.84 0.14 115.11 131.69 1a8r h GLN 207 Ca -0.25 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.14 1a8r h GLN 207 Cb 1.10 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.80 1a8r h GLN 207 CO 0.85 0.25 -0.31 -0.97 -1.93 0.00 0.00 178.83 176.72 1a8r h ASN 208 N 0.00 -0.74 -0.36 -0.69 -1.24 -1.91 -0.76 115.58 109.88 1a8r h ASN 208 Ca -0.00 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1a8r h ASN 208 Cb 0.45 0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.67 1a8r h ASN 208 CO 0.03 -0.46 0.17 0.74 -1.29 0.00 0.00 177.43 176.62 1a8r h THR 209 N -0.97 1.17 -0.15 -3.57 2.02 -1.73 -2.48 112.91 107.20 1a8r h THR 209 Ca -0.09 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.65 1a8r h THR 209 Cb 0.70 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.88 1a8r h THR 209 CO 0.15 0.18 -0.29 -0.09 0.37 0.00 0.00 175.52 175.84 1a8r h ARG 210 N 0.44 -0.34 0.00 6.66 2.43 -0.67 -1.81 114.38 121.08 1a8r h ARG 210 Ca 0.12 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1a8r h ARG 210 Cb 0.13 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1a8r h ARG 210 CO -0.01 -0.22 -0.25 0.45 -1.51 0.00 0.00 179.97 178.42 1a8r h HIS 211 N -0.35 0.00 -0.31 2.20 3.86 -1.11 -0.76 115.15 118.68 1a8r h HIS 211 Ca 0.11 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1a8r h HIS 211 Cb 0.51 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 1a8r h HIS 211 CO -0.39 0.25 0.06 0.93 0.86 0.00 0.00 177.93 179.64 1a8r h GLU 212 N 0.00 0.51 0.29 2.45 5.08 -0.94 0.16 114.58 122.13 1a8r h GLU 212 Ca -0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1a8r h GLU 212 Cb 0.81 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1a8r h GLU 212 CO 0.03 0.60 -0.14 0.35 -1.00 0.00 0.00 179.01 178.85 1a8r h PHE 213 N 0.34 -0.36 -0.60 4.33 3.57 -1.11 -2.13 116.94 120.98 1a8r h PHE 213 Ca 0.10 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1a8r h PHE 213 Cb 0.33 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1a8r h PHE 213 CO 0.02 -0.07 0.40 -0.07 -2.23 0.00 0.00 178.31 176.36 1a8r h LEU 214 N -0.64 0.51 -0.54 0.59 3.38 -1.05 -0.68 115.31 116.87 1a8r h LEU 214 Ca -0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1a8r h LEU 214 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1a8r h LEU 214 CO 0.06 0.33 -0.34 -0.09 0.09 0.00 0.00 178.44 178.49 1a8r h ARG 215 N 0.58 0.80 0.00 1.13 2.43 -0.65 -2.93 114.38 115.74 1a8r h ARG 215 Ca 0.26 -0.39 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1a8r h ARG 215 Cb 0.29 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1a8r h ARG 215 CO -0.08 1.02 -0.19 0.00 -1.51 0.00 0.00 179.97 179.22 1a8r h ALA 216 N 0.94 1.53 -2.87 2.80 0.00 -0.45 -3.44 119.26 117.77 1a8r h ALA 216 Ca 0.07 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.27 1a8r h ALA 216 Cb 0.89 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.74 1a8r h ALA 216 CO 0.08 0.24 0.79 0.08 0.00 0.00 0.00 179.25 180.44 1a8r s VAL 217 N -4.45 2.21 -0.25 0.00 1.01 -0.77 -4.42 120.40 113.73 1a8r s VAL 217 Ca -0.03 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1a8r s VAL 217 Cb 0.15 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1a8r s VAL 217 CO 0.67 0.04 0.08 -1.14 0.00 0.00 0.00 175.10 174.74 1a8r n ARG 218 N 1.23 -3.62 -3.79 2.72 3.00 -1.26 -5.04 116.66 109.90 1a8r n ARG 218 Ca 0.04 2.86 -0.30 0.00 -0.00 0.00 0.00 57.85 60.45 1a8r n ARG 218 Cb 0.39 -5.02 -0.15 0.00 0.00 0.00 0.00 32.46 27.68 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 -1.24 1.86 -0.33 -0.14 3.76 -1.26 -5.09 115.29 112.84 1a8r s HIS 219 Ca -0.09 -1.68 -0.35 0.00 -0.15 0.00 0.00 55.06 52.79 1a8r s HIS 219 Cb 0.01 -1.67 -0.11 0.00 1.11 0.00 0.00 32.58 31.92 1a8r s HIS 219 CO 0.74 -0.82 2.16 0.72 -0.85 0.00 0.00 174.74 176.69 1a8r n HIS 220 N 4.81 1.65 -0.20 1.40 8.25 -1.26 -5.03 115.22 124.84 1a8r n HIS 220 Ca -0.04 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 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