#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 -0.21 -0.34 0.00 -1.33 0.00 0.00 58.87 56.98 1a8r n SER 2 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 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 3.49 0.81 2.46 1.43 -1.26 -5.01 118.68 120.60 1a8r s LEU 3 Ca 0.00 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.17 1a8r s LEU 3 Cb 0.00 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.72 1a8r s LEU 3 CO 0.00 -1.68 1.09 -0.94 0.23 0.00 0.00 176.35 175.06 1a8r s SER 4 N -2.12 4.39 0.22 2.29 1.04 -1.26 -4.85 113.70 113.40 1a8r s SER 4 Ca 0.72 1.35 -0.09 0.00 0.48 0.00 0.00 55.95 58.41 1a8r s SER 4 Cb -0.25 -2.08 0.25 0.00 0.10 0.00 0.00 66.02 64.04 1a8r s SER 4 CO 0.38 -2.04 1.83 0.11 0.98 0.00 0.00 173.24 174.49 1a8r h LYS 5 N -1.14 0.77 0.10 4.02 1.57 -2.00 -1.88 116.57 118.01 1a8r h LYS 5 Ca -0.47 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1a8r h LYS 5 Cb 1.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1a8r h LYS 5 CO 0.58 0.51 -0.05 0.93 -0.57 0.00 0.00 179.45 180.85 1a8r h GLU 6 N 0.79 -0.13 -0.56 3.15 3.07 -1.98 -0.58 114.58 118.35 1a8r h GLU 6 Ca 0.31 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.24 1a8r h GLU 6 Cb 0.14 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.03 1a8r h GLU 6 CO -0.16 -0.05 0.27 0.00 -1.40 0.00 0.00 179.01 177.67 1a8r h ALA 7 N 0.72 0.72 0.57 3.43 0.00 -1.85 0.01 119.26 122.86 1a8r h ALA 7 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1a8r h ALA 7 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1a8r h ALA 7 CO 0.02 -0.09 -0.28 0.00 0.00 0.00 0.00 179.25 178.90 1a8r h ALA 8 N 1.32 -0.78 -0.51 0.00 0.00 -1.15 -0.73 119.26 117.41 1a8r h ALA 8 Ca 0.26 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1a8r h ALA 8 Cb 0.20 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1a8r h ALA 8 CO -0.20 -0.94 0.05 -0.07 0.00 0.00 0.00 179.25 178.09 1a8r h LEU 9 N -0.78 -0.12 -0.32 0.00 3.38 -0.74 0.20 115.31 116.92 1a8r h LEU 9 Ca -0.08 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1a8r h LEU 9 Cb 0.60 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1a8r h LEU 9 CO 0.12 -0.03 0.13 0.58 0.09 0.00 0.00 178.44 179.33 1a8r h VAL 10 N 0.17 1.18 -0.43 1.22 2.07 -0.91 -0.89 116.25 118.65 1a8r h VAL 10 Ca 0.26 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1a8r h VAL 10 Cb 0.39 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1a8r h VAL 10 CO -0.39 0.19 0.26 -0.74 0.02 0.00 0.00 177.57 176.91 1a8r h HIS 11 N 0.37 0.57 0.19 1.57 -0.00 -0.65 -0.71 115.15 116.49 1a8r h HIS 11 Ca 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1a8r h HIS 11 Cb 0.17 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 1a8r h HIS 11 CO -0.01 0.40 -0.16 0.93 -0.00 0.00 0.00 177.93 179.09 1a8r h GLU 12 N 0.57 -0.35 -0.85 5.26 5.08 -0.81 -0.66 114.58 122.81 1a8r h GLU 12 Ca 0.15 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 1a8r h GLU 12 Cb 0.00 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.25 1a8r h GLU 12 CO -0.03 -0.23 0.49 0.00 -1.00 0.00 0.00 179.01 178.24 1a8r h ALA 13 N 0.42 1.24 -0.21 3.43 0.00 -0.95 0.76 119.26 123.94 1a8r h ALA 13 Ca -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1a8r h ALA 13 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1a8r h ALA 13 CO -0.02 0.09 -0.05 -0.07 0.00 0.00 0.00 179.25 179.19 1a8r h LEU 14 N 0.79 0.41 -0.71 0.00 3.38 -0.82 -2.29 115.31 116.07 1a8r h LEU 14 Ca 0.42 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1a8r h LEU 14 Cb 0.43 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1a8r h LEU 14 CO -0.27 0.69 0.47 0.58 0.09 0.00 0.00 178.44 180.00 1a8r h VAL 15 N 0.14 1.18 -0.81 1.22 2.07 -0.58 0.73 116.25 120.19 1a8r h VAL 15 Ca 0.05 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.32 1a8r h VAL 15 Cb 0.51 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1a8r h VAL 15 CO 0.02 0.18 0.47 0.00 0.02 0.00 0.00 177.57 178.26 1a8r h ALA 16 N 1.27 1.13 -0.01 1.67 0.00 -0.76 -0.44 119.26 122.11 1a8r h ALA 16 Ca 0.26 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1a8r h ALA 16 Cb -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1a8r h ALA 16 CO -0.06 0.15 -0.08 0.54 0.00 0.00 0.00 179.25 179.80 1a8r n ARG 17 N -4.71 0.97 -2.19 0.00 3.00 -0.87 -4.92 116.66 107.93 1a8r n ARG 17 Ca 0.12 -0.37 -0.11 0.00 -0.01 0.00 0.00 57.85 57.48 1a8r n ARG 17 Cb 0.23 -1.49 -0.01 0.00 0.00 0.00 0.00 32.46 31.19 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 1.21 -0.05 0.39 -0.13 0.00 -0.18 -4.93 105.19 101.50 1a8r n GLY 18 Ca 0.17 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.52 1.78 -4.75 0.99 4.77 0.10 -5.00 117.00 113.37 1a8r n LEU 19 Ca -0.13 -0.71 -0.38 0.00 -0.03 0.00 0.00 56.01 54.76 1a8r n LEU 19 Cb 0.59 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1a8r n LEU 19 CO 0.15 0.34 0.95 -1.61 -1.33 0.00 0.00 177.39 175.89 1a8r s GLU 20 N -2.47 3.12 0.49 3.23 0.41 -1.24 -4.83 118.70 117.41 1a8r s GLU 20 Ca 0.16 2.14 -0.23 0.00 -0.41 0.00 0.00 54.97 56.63 1a8r s GLU 20 Cb 0.17 -2.20 -0.07 0.00 -1.78 0.00 0.00 34.13 30.26 1a8r s GLU 20 CO 0.60 -1.18 1.25 0.99 -0.49 0.00 0.00 175.26 176.42 1a8r s THR 21 N -1.36 2.69 -0.82 3.63 2.01 -1.26 -4.80 115.64 115.72 1a8r s THR 21 Ca 0.73 0.52 -0.26 0.00 0.31 0.00 0.00 61.69 62.99 1a8r s THR 21 Cb -0.38 -3.27 -0.16 0.00 0.01 0.00 0.00 72.50 68.70 1a8r s THR 21 CO 0.44 -0.00 2.38 -2.65 -0.69 0.00 0.00 174.62 174.10 1a8r n PRO 22 N -0.64 0.49 -4.86 4.92 -0.02 -1.26 -4.89 135.00 128.74 1a8r n PRO 22 Ca 0.08 -0.93 -0.25 0.00 -2.02 0.00 0.00 63.50 60.38 1a8r n PRO 22 Cb 0.47 -3.66 -0.15 0.00 -0.02 0.00 0.00 33.50 30.13 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 14.81 2.05 -0.00 2.45 2.96 -1.26 -5.14 118.68 134.55 1a8r s LEU 23 Ca 0.93 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 54.38 1a8r s LEU 23 Cb -0.14 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 1a8r s LEU 23 CO 0.10 0.22 0.32 -0.13 -1.32 0.00 0.00 176.35 175.54 1a8r s ARG 24 N -0.52 3.71 0.65 1.98 0.52 -1.26 -5.07 118.95 118.96 1a8r s ARG 24 Ca 0.07 0.14 -0.18 0.00 -0.52 0.00 0.00 55.73 55.25 1a8r s ARG 24 Cb -0.07 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 1a8r s ARG 24 CO -0.00 0.67 1.13 -2.30 0.02 0.00 0.00 175.30 174.81 1a8r n PRO 25 N 1.49 0.90 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.35 1a8r n PRO 25 Ca -0.13 0.36 -0.20 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 31.52 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 -1.67 0.35 -0.22 0.52 -0.02 -1.26 -4.77 135.00 127.93 1a8r n PRO 26 Ca 0.15 -0.42 -0.03 0.00 -2.02 0.00 0.00 63.50 61.18 1a8r n PRO 26 Cb 0.48 -2.54 0.16 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 7.46 1.23 -2.89 -1.45 2.07 -2.04 -3.43 116.25 117.20 1a8r h VAL 27 Ca -0.01 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.70 1a8r h VAL 27 Cb 1.09 0.33 -0.26 0.00 -1.52 0.00 0.00 31.29 30.93 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 -5.56 -0.41 -1.47 1.57 3.76 -1.26 -5.05 115.29 106.87 1a8r s HIS 28 Ca -0.11 0.96 -0.10 0.00 -0.15 0.00 0.00 55.06 55.65 1a8r s HIS 28 Cb 0.16 0.14 0.02 0.00 1.11 0.00 0.00 32.58 34.02 1a8r s HIS 28 CO 0.81 -0.22 2.47 0.39 -0.85 0.00 0.00 174.74 177.34 1a8r n GLU 29 N 3.37 3.57 -3.34 1.40 1.02 -1.26 -4.92 120.64 120.48 1a8r n GLU 29 Ca -0.17 -2.74 -0.38 0.00 -0.02 0.00 0.00 57.16 53.85 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 1.67 4.23 0.32 3.49 1.75 -1.26 -5.03 119.30 124.47 1a8r s MET 30 Ca 0.55 0.51 -0.29 0.00 -1.25 0.00 0.00 55.69 55.21 1a8r s MET 30 Cb 0.16 -3.36 -0.12 0.00 2.84 0.00 0.00 34.83 34.35 1a8r s MET 30 CO -0.07 0.35 1.52 -3.47 -0.65 0.00 0.00 175.02 172.71 1a8r n ASP 31 N 2.96 3.67 -0.35 1.11 -0.08 -1.26 -4.89 116.55 117.71 1a8r n ASP 31 Ca -0.09 1.18 0.24 0.00 -1.51 0.00 0.00 54.79 54.61 1a8r n ASP 31 Cb 0.52 -1.58 0.49 0.00 2.34 0.00 0.00 41.12 42.88 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 3.97 0.49 -0.68 1.67 4.21 -2.00 0.11 115.58 123.36 1a8r h ASN 32 Ca -0.48 0.14 0.09 0.00 1.21 0.00 0.00 56.30 57.26 1a8r h ASN 32 Cb 1.24 0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 38.47 1a8r h ASN 32 CO 0.73 -0.02 0.45 -0.33 -1.29 0.00 0.00 177.43 176.97 1a8r h GLU 33 N 0.37 0.54 -0.27 0.81 5.08 -1.98 0.25 114.58 119.38 1a8r h GLU 33 Ca 0.69 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.93 1a8r h GLU 33 Cb 1.65 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1a8r h GLU 33 CO -0.46 0.36 -0.16 1.15 -1.00 0.00 0.00 179.01 178.90 1a8r h THR 34 N 0.56 1.30 -0.34 1.13 2.02 -1.33 -0.25 112.91 116.00 1a8r h THR 34 Ca 0.31 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1a8r h THR 34 Cb 0.47 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1a8r h THR 34 CO -0.10 0.40 0.21 0.03 0.37 0.00 0.00 175.52 176.43 1a8r h ARG 35 N 0.31 0.47 -0.84 6.66 3.08 -1.09 0.44 114.38 123.41 1a8r h ARG 35 Ca 0.06 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1a8r h ARG 35 Cb 0.69 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1a8r h ARG 35 CO 0.05 0.35 0.45 0.87 -1.07 0.00 0.00 179.97 180.62 1a8r h LYS 36 N 0.45 1.17 -0.42 0.04 1.57 -0.44 0.22 116.57 119.15 1a8r h LYS 36 Ca 0.12 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1a8r h LYS 36 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1a8r h LYS 36 CO -0.02 0.86 -0.27 0.66 -0.57 0.00 0.00 179.45 180.11 1a8r h SER 37 N 1.18 0.93 -0.05 0.86 4.64 -0.57 0.10 113.55 120.64 1a8r h SER 37 Ca 0.30 -0.37 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1a8r h SER 37 Cb 0.03 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1a8r h SER 37 CO -0.05 1.14 0.01 -0.07 -0.87 0.00 0.00 176.83 176.99 1a8r h LEU 38 N 0.77 0.08 -0.56 5.97 3.38 -0.37 -0.78 115.31 123.80 1a8r h LEU 38 Ca 0.09 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1a8r h LEU 38 Cb 0.83 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1a8r h LEU 38 CO 0.07 0.28 0.35 0.40 0.09 0.00 0.00 178.44 179.63 1a8r h ILE 39 N -0.13 1.16 -0.65 1.22 2.04 -0.52 -1.44 117.51 119.19 1a8r h ILE 39 Ca 0.02 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1a8r h ILE 39 Cb 0.24 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1a8r h ILE 39 CO 0.00 0.16 0.43 0.00 0.00 0.00 0.00 178.15 178.75 1a8r h ALA 40 N 1.18 1.56 -0.33 1.87 0.00 -0.61 0.72 119.26 123.65 1a8r h ALA 40 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1a8r h ALA 40 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1a8r h ALA 40 CO -0.04 0.40 0.03 0.78 0.00 0.00 0.00 179.25 180.42 1a8r h GLY 41 N 0.86 0.59 1.01 0.00 0.00 -0.17 0.15 103.07 105.52 1a8r h GLY 41 Ca 0.25 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1a8r h GLY 41 CO -0.06 0.38 0.47 0.45 0.00 0.00 0.00 176.54 177.78 1a8r h HIS 42 N 0.37 1.03 -0.56 5.60 -0.00 -0.52 -1.52 115.15 119.55 1a8r h HIS 42 Ca 0.10 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.39 1a8r h HIS 42 Cb 0.38 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 1a8r h HIS 42 CO 0.03 0.69 0.07 0.52 -0.00 0.00 0.00 177.93 179.24 1a8r h MET 43 N 1.06 0.91 -0.37 2.45 2.86 -0.58 -1.37 114.93 119.89 1a8r h MET 43 Ca 0.28 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1a8r h MET 43 Cb -0.03 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1a8r h MET 43 CO -0.05 0.85 0.24 1.15 1.06 0.00 0.00 176.91 180.16 1a8r h THR 44 N 0.85 1.08 0.04 2.22 2.02 -0.40 -0.80 112.91 117.92 1a8r h THR 44 Ca 0.17 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1a8r h THR 44 Cb 0.40 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1a8r h THR 44 CO 0.01 0.09 -0.03 -0.33 0.37 0.00 0.00 175.52 175.63 1a8r h GLU 45 N 0.49 -0.06 -0.29 6.66 4.39 -1.01 -1.48 114.58 123.28 1a8r h GLU 45 Ca 0.14 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.90 1a8r h GLU 45 Cb -0.04 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 1a8r h GLU 45 CO -0.04 -0.04 -0.04 0.82 -1.16 0.00 0.00 179.01 178.55 1a8r h ILE 46 N -0.06 0.74 -0.58 3.13 2.04 -0.99 0.14 117.51 121.93 1a8r h ILE 46 Ca -0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1a8r h ILE 46 Cb 0.06 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1a8r h ILE 46 CO -0.00 0.01 0.37 0.24 0.00 0.00 0.00 178.15 178.77 1a8r h MET 47 N 0.04 0.76 -0.40 2.37 2.86 -0.98 -0.52 114.93 119.07 1a8r h MET 47 Ca 0.14 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.61 1a8r h MET 47 Cb 0.20 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1a8r h MET 47 CO -0.27 0.51 -0.25 1.96 1.06 0.00 0.00 176.91 179.93 1a8r h GLN 48 N 0.78 0.81 0.00 1.72 4.20 -0.16 -0.55 115.11 121.92 1a8r h GLN 48 Ca 0.21 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 1a8r h GLN 48 Cb -0.07 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1a8r h GLN 48 CO -0.04 0.97 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.93 1a8r h LEU 49 N 0.70 0.00 -1.37 1.46 3.38 0.70 -0.71 115.31 119.47 1a8r h LEU 49 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1a8r h LEU 49 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1a8r h LEU 49 CO 0.06 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.86 1a8r n LEU 50 N -3.37 2.13 -1.91 1.67 4.77 -0.37 -4.95 117.00 114.97 1a8r n LEU 50 Ca -0.01 -0.71 -0.16 0.00 -0.03 0.00 0.00 56.01 55.10 1a8r n LEU 50 Cb 0.26 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1a8r n LEU 50 CO 0.28 0.36 -0.15 0.59 -1.33 0.00 0.00 177.39 177.14 1a8r n ASN 51 N 0.66 -4.77 -4.77 -1.43 3.02 -0.27 -5.00 115.26 102.71 1a8r n ASN 51 Ca 0.17 -0.06 -0.40 0.00 -0.03 0.00 0.00 54.58 54.26 1a8r n ASN 51 Cb 0.46 -3.83 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 1a8r n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a8r s LEU 52 N -4.66 4.58 -0.86 3.41 1.43 -0.30 -4.98 118.68 117.30 1a8r s LEU 52 Ca 0.05 1.65 -0.22 0.00 -1.03 0.00 0.00 54.13 54.58 1a8r s LEU 52 Cb -0.02 -3.32 0.08 0.00 0.03 0.00 0.00 46.19 42.95 1a8r s LEU 52 CO 0.07 0.17 1.20 -0.62 0.23 0.00 0.00 176.35 177.40 1a8r s ASP 53 N -0.97 6.41 0.00 2.29 2.15 -1.26 -4.60 116.67 120.70 1a8r s ASP 53 Ca 0.37 -1.39 0.03 0.00 0.43 0.00 0.00 52.55 51.99 1a8r s ASP 53 Cb -0.23 -2.48 0.17 0.00 -0.30 0.00 0.00 42.92 40.09 1a8r s ASP 53 CO 0.26 -1.39 0.83 0.18 -0.17 0.00 0.00 175.17 174.88 1a8r n LEU 54 N 7.90 0.00 0.09 -1.34 4.77 -1.26 -1.28 117.00 125.89 1a8r n LEU 54 Ca 0.17 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.28 1a8r n LEU 54 Cb 0.49 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1a8r n LEU 54 CO 0.61 -0.16 0.30 0.00 -1.33 0.00 0.00 177.39 176.81 1a8r h ALA 55 N 2.17 0.64 -2.76 -1.18 0.00 -1.94 -3.23 119.26 112.95 1a8r h ALA 55 Ca 0.00 -0.75 -0.53 0.00 0.00 0.00 0.00 54.91 53.63 1a8r h ALA 55 Cb 0.02 -0.13 0.07 0.00 0.00 0.00 0.00 17.79 17.75 1a8r h ALA 55 CO 0.00 1.03 0.89 0.34 0.00 0.00 0.00 179.25 181.50 1a8r s ASP 56 N -6.78 6.43 0.48 0.00 2.15 -0.40 -4.79 116.67 113.76 1a8r s ASP 56 Ca -0.00 2.88 0.21 0.00 0.43 0.00 0.00 52.55 56.07 1a8r s ASP 56 Cb 0.11 -2.63 1.24 0.00 -0.30 0.00 0.00 42.92 41.35 1a8r s ASP 56 CO 0.79 -0.89 1.96 -2.24 -0.17 0.00 0.00 175.17 174.63 1a8r h ASP 57 N 5.28 0.18 0.70 -0.34 2.03 -1.89 0.11 116.42 122.47 1a8r h ASP 57 Ca -0.46 0.01 -0.14 0.00 -0.73 0.00 0.00 57.03 55.71 1a8r h ASP 57 Cb 1.22 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.67 1a8r h ASP 57 CO 0.82 0.09 -0.67 -1.28 -1.03 0.00 0.00 179.24 177.18 1a8r h SER 58 N 0.19 0.00 0.13 4.15 0.87 -1.95 -3.34 113.55 113.60 1a8r h SER 58 Ca 0.30 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.55 1a8r h SER 58 Cb 0.93 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.83 1a8r h SER 58 CO -0.05 0.67 -2.18 0.18 -0.53 0.00 0.00 176.83 174.92 1a8r n LEU 59 N -3.72 0.21 -0.35 2.23 4.77 -0.42 -4.65 117.00 115.07 1a8r n LEU 59 Ca -0.01 0.10 0.09 0.00 -0.03 0.00 0.00 56.01 56.16 1a8r n LEU 59 Cb 0.66 0.37 0.19 0.00 -2.33 0.00 0.00 43.42 42.32 1a8r n LEU 59 CO 0.43 0.42 0.71 -0.03 -1.33 0.00 0.00 177.39 177.58 1a8r h MET 60 N 0.00 0.00 -0.38 3.23 4.05 -0.87 0.61 114.93 121.57 1a8r h MET 60 Ca -0.43 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 1a8r h MET 60 Cb 2.07 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.87 1a8r h MET 60 CO 0.04 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.57 1a8r n GLU 61 N -5.58 2.06 0.08 0.39 -0.58 -1.26 -4.47 120.64 111.28 1a8r n GLU 61 Ca 0.19 -1.63 -0.13 0.00 -0.42 0.00 0.00 57.16 55.17 1a8r n GLU 61 Cb 0.60 -1.40 -0.07 0.00 -0.57 0.00 0.00 31.44 29.99 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 2.88 0.93 -0.92 2.62 2.02 -1.14 -0.91 112.91 118.40 1a8r h THR 62 Ca 0.00 -0.03 0.17 0.00 0.77 0.00 0.00 66.41 67.32 1a8r h THR 62 Cb 0.65 0.95 -0.10 0.00 -1.74 0.00 0.00 68.15 67.91 1a8r h THR 62 CO 0.00 0.01 0.50 -0.65 0.37 0.00 0.00 175.52 175.75 1a8r h PRO 63 N -0.12 0.64 -0.23 6.66 0.11 -1.78 0.21 132.00 137.49 1a8r h PRO 63 Ca -0.01 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.92 1a8r h PRO 63 Cb 0.10 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1a8r h PRO 63 CO 0.02 0.42 -0.45 1.25 -0.21 0.00 0.00 178.00 179.04 1a8r h HIS 64 N 0.66 0.70 -0.25 0.65 -0.00 -1.79 -1.92 115.15 113.20 1a8r h HIS 64 Ca 0.52 -0.22 -0.06 0.00 -0.00 0.00 0.00 60.37 60.61 1a8r h HIS 64 Cb 0.78 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 1a8r h HIS 64 CO -0.06 0.93 -0.06 0.00 -0.00 0.00 0.00 177.93 178.74 1a8r h ARG 65 N 0.47 0.49 -0.50 5.26 3.08 0.64 -1.38 114.38 122.43 1a8r h ARG 65 Ca 0.03 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1a8r h ARG 65 Cb 0.97 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1a8r h ARG 65 CO 0.09 0.70 0.15 0.82 -1.07 0.00 0.00 179.97 180.66 1a8r h ILE 66 N 0.23 1.23 -0.32 2.04 2.04 -0.73 -0.69 117.51 121.32 1a8r h ILE 66 Ca 0.06 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1a8r h ILE 66 Cb 0.52 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1a8r h ILE 66 CO 0.02 0.29 0.09 0.00 0.00 0.00 0.00 178.15 178.55 1a8r h ALA 67 N 1.01 0.35 -0.67 1.87 0.00 -1.28 -0.12 119.26 120.42 1a8r h ALA 67 Ca 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1a8r h ALA 67 Cb 0.28 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1a8r h ALA 67 CO -0.00 -0.31 0.29 -0.22 0.00 0.00 0.00 179.25 179.01 1a8r h LYS 68 N 0.22 0.98 0.09 0.00 3.64 -1.06 -1.89 116.57 118.55 1a8r h LYS 68 Ca 0.14 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1a8r h LYS 68 Cb 0.13 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1a8r h LYS 68 CO -0.16 0.78 -0.04 1.98 -2.27 0.00 0.00 179.45 179.73 1a8r h MET 69 N 0.96 -0.12 0.51 1.90 4.05 -0.29 0.16 114.93 122.11 1a8r h MET 69 Ca 0.23 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.63 1a8r h MET 69 Cb 0.15 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1a8r h MET 69 CO -0.02 0.13 -0.25 1.88 0.23 0.00 0.00 176.91 178.88 1a8r h TYR 70 N -0.36 -0.64 0.48 1.39 0.05 -0.94 0.43 116.97 117.38 1a8r h TYR 70 Ca -0.01 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1a8r h TYR 70 Cb 0.31 0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1a8r h TYR 70 CO 0.01 -0.39 -0.23 0.28 -1.05 0.00 0.00 178.16 176.78 1a8r h VAL 71 N -0.70 0.15 0.00 -2.88 2.07 -1.42 -3.23 116.25 110.24 1a8r h VAL 71 Ca -0.07 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1a8r h VAL 71 Cb 0.53 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1a8r h VAL 71 CO 0.12 0.03 -0.44 0.44 0.02 0.00 0.00 177.57 177.74 1a8r h ASP 72 N -1.12 0.00 0.00 0.57 3.32 -0.81 -3.39 116.42 115.00 1a8r h ASP 72 Ca -0.07 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1a8r h ASP 72 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1a8r h ASP 72 CO 0.11 0.02 0.00 -0.62 -1.72 0.00 0.00 179.24 177.03 1a8r n GLU 73 N -2.70 0.00 0.27 3.56 1.02 -0.01 -4.65 120.64 118.13 1a8r n GLU 73 Ca 0.03 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.33 1a8r n GLU 73 Cb 0.51 0.00 0.86 0.00 -0.02 0.00 0.00 31.44 32.79 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 -0.07 -3.67 3.07 -1.38 -1.59 117.51 113.87 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 0.70 0.00 0.00 -0.27 0.00 0.00 36.82 37.25 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 -2.70 0.21 0.30 0.16 3.72 -1.22 -2.51 117.46 115.43 1a8r n PHE 75 Ca -0.02 -0.83 0.19 0.00 -0.05 0.00 0.00 57.45 56.73 1a8r n PHE 75 Cb 0.16 -0.15 1.01 0.00 -0.94 0.00 0.00 39.48 39.57 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 0.49 0.00 0.78 4.37 4.64 -1.28 -1.26 113.55 121.28 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 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1a8r h SER 76 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1a8r n GLY 77 N -1.23 -1.27 0.27 -0.77 0.00 -0.10 -2.54 105.19 99.54 1a8r n GLY 77 Ca -0.02 0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -8.17 0.99 3.38 -1.34 -3.41 115.31 106.76 1a8r h LEU 78 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 1a8r h LEU 78 Cb 0.39 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.86 1a8r h LEU 78 CO 0.00 0.00 -0.55 -0.62 0.09 0.00 0.00 178.44 177.36 1a8r s ASP 79 N -5.54 5.46 0.00 -0.43 2.15 -1.05 -4.96 116.67 112.29 1a8r s ASP 79 Ca 0.01 -1.28 0.00 0.00 0.43 0.00 0.00 52.55 51.71 1a8r s ASP 79 Cb 0.09 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 1a8r s ASP 79 CO 0.53 -0.41 0.52 -1.22 -0.17 0.00 0.00 175.17 174.42 1a8r n TYR 80 N 4.85 0.00 0.21 -5.34 4.02 -1.26 -0.20 117.16 119.44 1a8r n TYR 80 Ca -0.11 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.87 1a8r n TYR 80 Cb 0.44 -0.06 0.36 0.00 -0.02 0.00 0.00 39.34 40.06 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 1.81 0.95 -0.25 -0.72 0.00 -1.93 -2.87 119.26 116.26 1a8r h ALA 81 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1a8r h ALA 81 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a8r h ALA 81 CO 0.00 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.64 1a8r n ASN 82 N -3.31 2.21 -4.77 0.00 3.02 0.72 -4.95 115.26 108.18 1a8r n ASN 82 Ca 0.01 -1.82 -0.41 0.00 -0.03 0.00 0.00 54.58 52.33 1a8r n ASN 82 Cb 0.49 -0.16 -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 -1.68 2.80 0.55 3.10 5.36 -1.08 -4.93 117.98 122.09 1a8r s PHE 83 Ca 0.33 1.21 -0.20 0.00 -0.96 0.00 0.00 56.93 57.31 1a8r s PHE 83 Cb 0.19 -3.89 -0.05 0.00 -0.34 0.00 0.00 43.02 38.93 1a8r s PHE 83 CO 0.27 -2.62 1.25 -1.25 -1.46 0.00 0.00 175.22 171.40 1a8r s PRO 84 N -1.70 3.17 -0.16 10.12 0.04 -1.26 -4.96 135.00 140.26 1a8r s PRO 84 Ca 0.53 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 63.22 1a8r s PRO 84 Cb -0.44 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 1a8r s PRO 84 CO 0.57 -1.08 1.30 0.15 0.04 0.00 0.00 177.00 177.98 1a8r s LYS 85 N -3.07 4.22 -0.03 4.56 1.02 -1.26 -4.93 119.74 120.25 1a8r s LYS 85 Ca 0.73 1.70 -0.17 0.00 0.02 0.00 0.00 55.97 58.25 1a8r s LYS 85 Cb -0.33 -3.79 -0.05 0.00 -0.52 0.00 0.00 37.83 33.14 1a8r s LYS 85 CO 0.38 -0.73 0.48 0.42 -0.92 0.00 0.00 175.35 174.98 1a8r s ILE 86 N 3.58 5.01 0.02 2.17 -1.09 -1.26 -4.94 121.20 124.68 1a8r s ILE 86 Ca 0.57 1.00 0.06 0.00 -2.23 0.00 0.00 60.65 60.04 1a8r s ILE 86 Cb -0.23 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.83 1a8r s ILE 86 CO 0.16 0.47 -0.17 0.42 -1.23 0.00 0.00 174.94 174.59 1a8r s THR 87 N -0.42 1.37 0.05 2.92 -4.23 -1.26 -5.08 115.64 108.99 1a8r s THR 87 Ca 0.26 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 1a8r s THR 87 Cb -0.17 -1.18 -0.03 0.00 1.34 0.00 0.00 72.50 72.47 1a8r s THR 87 CO 0.14 0.23 0.03 -0.76 -0.54 0.00 0.00 174.62 173.71 1a8r s LEU 88 N -0.82 2.16 0.08 4.79 1.43 -1.26 -1.48 118.68 123.57 1a8r s LEU 88 Ca 0.06 -0.78 0.03 0.00 -1.03 0.00 0.00 54.13 52.40 1a8r s LEU 88 Cb -0.07 0.39 -0.03 0.00 0.03 0.00 0.00 46.19 46.50 1a8r s LEU 88 CO 0.01 -0.56 -0.09 0.27 0.23 0.00 0.00 176.35 176.21 1a8r s ILE 89 N -3.29 0.75 0.31 -0.59 -4.36 0.05 -4.95 121.20 109.13 1a8r s ILE 89 Ca 0.01 -1.48 -0.30 0.00 -0.26 0.00 0.00 60.65 58.63 1a8r s ILE 89 Cb 0.03 -1.14 -0.11 0.00 1.25 0.00 0.00 42.46 42.49 1a8r s ILE 89 CO -0.08 -0.54 1.57 -0.70 0.24 0.00 0.00 174.94 175.43 1a8r s GLU 90 N -2.50 4.12 -1.56 0.37 2.12 -1.26 -0.23 118.70 119.75 1a8r s GLU 90 Ca 0.01 2.58 -0.10 0.00 0.36 0.00 0.00 54.97 57.81 1a8r s GLU 90 Cb -0.04 -3.01 -0.08 0.00 0.26 0.00 0.00 34.13 31.26 1a8r s GLU 90 CO -0.01 -0.61 2.85 -1.71 -0.54 0.00 0.00 175.26 175.24 1a8r n ASN 91 N 1.79 8.12 0.23 -1.70 5.15 -0.56 -4.50 115.26 123.78 1a8r n ASN 91 Ca 0.06 -2.57 0.10 0.00 -0.60 0.00 0.00 54.58 51.57 1a8r n ASN 91 Cb 0.38 -1.53 0.53 0.00 -0.53 0.00 0.00 39.78 38.62 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 5.18 0.00 0.00 1.20 1.57 -1.89 -1.98 116.57 120.66 1a8r h LYS 92 Ca 0.83 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.61 1a8r h LYS 92 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1a8r h LYS 92 CO 1.77 0.22 0.00 0.52 -0.57 0.00 0.00 179.45 181.40 1a8r h MET 93 N 0.00 0.00 -6.02 3.15 2.86 -2.00 -3.46 114.93 109.47 1a8r h MET 93 Ca -0.00 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.21 1a8r h MET 93 Cb 0.62 0.00 0.07 0.00 0.06 0.00 0.00 31.60 32.36 1a8r h MET 93 CO 0.03 0.00 -0.71 1.63 1.06 0.00 0.00 176.91 178.92 1a8r n LYS 94 N -2.33 -7.09 -2.23 1.72 5.02 -0.74 -4.91 118.16 107.61 1a8r n LYS 94 Ca 0.01 0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 56.62 1a8r n LYS 94 Cb 0.18 -5.74 -0.03 0.00 -0.02 0.00 0.00 35.03 29.43 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 -3.31 3.90 -0.17 -0.18 1.01 -1.26 -4.87 120.40 115.51 1a8r s VAL 95 Ca 0.61 1.14 0.17 0.00 0.00 0.00 0.00 61.98 63.90 1a8r s VAL 95 Cb -0.28 -3.74 0.45 0.00 0.00 0.00 0.00 36.38 32.80 1a8r s VAL 95 CO 0.77 -0.07 1.18 -0.90 0.00 0.00 0.00 175.10 176.08 1a8r n ASP 96 N 6.42 2.10 -4.16 3.32 5.75 -1.26 -4.27 116.55 124.44 1a8r n ASP 96 Ca 0.15 -3.00 -0.19 0.00 -0.01 0.00 0.00 54.79 51.73 1a8r n ASP 96 Cb 0.44 -0.42 -0.13 0.00 -1.03 0.00 0.00 41.12 39.98 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 -2.44 0.89 0.61 0.11 0.41 -1.26 -4.97 118.70 112.05 1a8r s GLU 97 Ca 0.38 -0.86 -0.19 0.00 -0.41 0.00 0.00 54.97 53.88 1a8r s GLU 97 Cb 0.38 -0.91 -0.03 0.00 -1.78 0.00 0.00 34.13 31.79 1a8r s GLU 97 CO -0.07 0.22 1.26 0.00 -0.49 0.00 0.00 175.26 176.17 1a8r s MET 98 N -1.44 2.80 -0.14 1.61 0.23 -1.26 -4.40 119.30 116.70 1a8r s MET 98 Ca 0.00 1.98 0.01 0.00 -1.03 0.00 0.00 55.69 56.65 1a8r s MET 98 Cb -0.09 -1.93 -0.00 0.00 -1.53 0.00 0.00 34.83 31.28 1a8r s MET 98 CO 0.02 -1.38 -0.16 0.08 -2.03 0.00 0.00 175.02 171.55 1a8r s VAL 99 N -1.47 2.63 -0.07 5.16 1.01 -0.10 -4.94 120.40 122.63 1a8r s VAL 99 Ca 0.79 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1a8r s VAL 99 Cb -0.35 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1a8r s VAL 99 CO 0.38 0.52 -0.23 -0.89 0.00 0.00 0.00 175.10 174.88 1a8r s THR 100 N 0.68 1.95 -0.27 3.92 2.01 -1.26 -1.67 115.64 120.99 1a8r s THR 100 Ca -0.08 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 1a8r s THR 100 Cb -0.16 -1.66 0.04 0.00 0.01 0.00 0.00 72.50 70.73 1a8r s THR 100 CO 0.02 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.76 1a8r s VAL 101 N 0.01 2.84 0.27 3.82 1.01 0.18 -5.00 120.40 123.52 1a8r s VAL 101 Ca -0.08 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 60.72 1a8r s VAL 101 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1a8r s VAL 101 CO 0.05 0.03 0.13 0.00 0.00 0.00 0.00 175.10 175.31 1a8r s ARG 102 N 1.27 2.67 -1.40 2.72 1.70 -1.26 -1.27 118.95 123.37 1a8r s ARG 102 Ca -0.03 -1.22 -0.07 0.00 -0.47 0.00 0.00 55.73 53.94 1a8r s ARG 102 Cb -0.18 -2.40 0.04 0.00 -0.57 0.00 0.00 34.95 31.83 1a8r s ARG 102 CO -0.03 0.36 0.88 -0.25 -1.08 0.00 0.00 175.30 175.18 1a8r n ASP 103 N -1.09 -3.23 -4.70 -2.89 8.00 -1.04 -4.94 116.55 106.67 1a8r n ASP 103 Ca -0.07 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.25 1a8r n ASP 103 Cb 0.59 -4.15 -0.03 0.00 -0.02 0.00 0.00 41.12 37.51 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 -3.47 4.14 0.19 0.53 1.01 -0.05 -4.81 121.20 118.73 1a8r s ILE 104 Ca 0.33 1.50 -0.32 0.00 0.00 0.00 0.00 60.65 62.16 1a8r s ILE 104 Cb -0.16 -3.96 -0.11 0.00 0.01 0.00 0.00 42.46 38.23 1a8r s ILE 104 CO 0.81 0.04 1.66 -0.89 0.00 0.00 0.00 174.94 176.55 1a8r s THR 105 N 1.84 2.29 -0.09 2.92 2.01 -1.26 -1.33 115.64 122.03 1a8r s THR 105 Ca 0.58 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.77 1a8r s THR 105 Cb -0.27 -3.13 0.03 0.00 0.01 0.00 0.00 72.50 69.14 1a8r s THR 105 CO 0.25 0.02 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.93 1a8r s LEU 106 N 1.20 0.97 -0.19 4.42 0.20 -0.27 -4.79 118.68 120.21 1a8r s LEU 106 Ca 0.73 -0.19 0.01 0.00 0.69 0.00 0.00 54.13 55.36 1a8r s LEU 106 Cb -0.47 -0.64 0.04 0.00 -0.43 0.00 0.00 46.19 44.69 1a8r s LEU 106 CO 0.32 -0.14 -0.10 0.42 -0.29 0.00 0.00 176.35 176.56 1a8r s THR 107 N 1.70 1.59 0.08 3.68 -4.23 -1.26 -0.82 115.64 116.38 1a8r s THR 107 Ca 0.03 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1a8r s THR 107 Cb -0.13 -1.66 -0.00 0.00 1.34 0.00 0.00 72.50 72.05 1a8r s THR 107 CO -0.06 0.20 0.04 -0.24 -0.54 0.00 0.00 174.62 174.02 1a8r n SER 108 N 4.71 0.51 -3.86 3.99 2.88 -0.61 -4.13 113.62 117.10 1a8r n SER 108 Ca -0.15 -1.47 -0.15 0.00 -1.33 0.00 0.00 58.87 55.77 1a8r n SER 108 Cb 0.47 0.28 -0.15 0.00 -0.75 0.00 0.00 64.21 64.06 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 -2.05 0.13 0.27 2.46 2.01 -1.25 -0.94 115.64 116.27 1a8r s THR 109 Ca 0.06 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.78 1a8r s THR 109 Cb 0.00 -0.16 -0.09 0.00 0.01 0.00 0.00 72.50 72.26 1a8r s THR 109 CO 0.04 0.07 0.96 0.00 -0.69 0.00 0.00 174.62 175.00 1a8r n GLU 111 N 1.16 0.18 0.08 0.00 0.28 -0.60 -0.54 120.64 121.20 1a8r n GLU 111 Ca -0.01 0.15 -0.09 0.00 -0.16 0.00 0.00 57.16 57.05 1a8r n GLU 111 Cb 0.48 -1.70 -0.00 0.00 1.43 0.00 0.00 31.44 31.64 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 0.30 0.00 -1.84 4.64 -1.92 -3.38 113.55 111.35 1a8r h SER 112 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1a8r h SER 112 Cb 0.66 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1a8r h SER 112 CO 0.00 1.03 0.00 1.41 -0.87 0.00 0.00 176.83 178.40 1a8r n HIS 113 N -3.69 0.00 -3.46 4.77 8.25 -1.24 -5.02 115.22 114.83 1a8r n HIS 113 Ca -0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.18 1a8r n HIS 113 Cb 0.80 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.97 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 -2.62 -4.26 4.41 3.01 0.30 -5.00 117.46 113.16 1a8r n PHE 114 Ca 0.00 0.88 -0.28 0.00 1.01 0.00 0.00 57.45 59.06 1a8r n PHE 114 Cb 0.10 -4.85 -0.10 0.00 -0.01 0.00 0.00 39.48 34.63 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 -3.28 3.26 0.21 -4.37 1.01 -1.24 -4.84 120.40 111.16 1a8r s VAL 115 Ca 0.52 -1.49 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 1a8r s VAL 115 Cb -0.23 -2.58 -0.15 0.00 0.00 0.00 0.00 36.38 33.42 1a8r s VAL 115 CO 0.64 -0.02 1.10 0.41 0.00 0.00 0.00 175.10 177.23 1a8r n THR 116 N 0.32 1.29 -4.17 3.92 -1.04 -1.26 -0.48 114.28 112.86 1a8r n THR 116 Ca -0.12 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.05 61.27 1a8r n THR 116 Cb 0.54 -0.89 -0.17 0.00 -1.82 0.00 0.00 70.33 68.00 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 -0.49 1.56 -0.21 12.58 1.01 -0.12 -1.04 121.20 134.50 1a8r s ILE 117 Ca 0.68 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 1a8r s ILE 117 Cb -0.80 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.22 1a8r s ILE 117 CO 0.55 0.46 -0.09 -0.62 0.00 0.00 0.00 174.94 175.24 1a8r s ASP 118 N 1.32 3.97 0.23 3.58 2.15 -0.19 -1.58 116.67 126.15 1a8r s ASP 118 Ca 0.01 -0.48 -0.05 0.00 0.43 0.00 0.00 52.55 52.46 1a8r s ASP 118 Cb -0.13 -1.66 0.02 0.00 -0.30 0.00 0.00 42.92 40.84 1a8r s ASP 118 CO -0.08 -0.02 0.39 0.61 -0.17 0.00 0.00 175.17 175.91 1a8r n GLY 119 N 4.74 1.93 2.86 2.66 0.00 -0.00 -0.29 105.19 117.09 1a8r n GLY 119 Ca -0.19 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 1a8r n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a8r s LYS 120 N -2.28 0.02 0.16 1.61 1.02 0.13 -1.12 119.74 119.29 1a8r s LYS 120 Ca 0.14 0.02 0.08 0.00 0.02 0.00 0.00 55.97 56.23 1a8r s LYS 120 Cb -0.02 -0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.18 1a8r s LYS 120 CO 0.10 -0.02 -0.09 0.00 -0.92 0.00 0.00 175.35 174.42 1a8r s ALA 121 N 0.18 2.97 -0.07 5.17 0.00 -0.44 -1.15 121.76 128.42 1a8r s ALA 121 Ca -0.01 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1a8r s ALA 121 Cb -0.02 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1a8r s ALA 121 CO -0.01 0.52 -0.05 0.99 0.00 0.00 0.00 175.76 177.21 1a8r s THR 122 N -1.57 0.71 -0.04 0.00 2.01 0.23 -0.87 115.64 116.10 1a8r s THR 122 Ca 0.24 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.13 1a8r s THR 122 Cb -0.09 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1a8r s THR 122 CO 0.15 0.29 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.53 1a8r s VAL 123 N 1.40 1.27 0.06 3.82 1.01 -0.40 -0.80 120.40 126.77 1a8r s VAL 123 Ca -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1a8r s VAL 123 Cb -0.13 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1a8r s VAL 123 CO -0.03 0.37 -0.09 0.00 0.00 0.00 0.00 175.10 175.35 1a8r s ALA 124 N 0.17 0.78 -0.04 5.51 0.00 -0.62 -0.65 121.76 126.91 1a8r s ALA 124 Ca -0.06 -0.92 -0.28 0.00 0.00 0.00 0.00 51.96 50.71 1a8r s ALA 124 Cb -0.12 0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.09 1a8r s ALA 124 CO 0.02 -0.01 0.61 1.52 0.00 0.00 0.00 175.76 177.89 1a8r s TYR 125 N -1.73 -0.56 -0.35 0.00 1.13 -0.67 -0.50 117.35 114.66 1a8r s TYR 125 Ca -0.04 0.95 -0.13 0.00 -1.41 0.00 0.00 57.07 56.43 1a8r s TYR 125 Cb -0.07 0.35 -0.01 0.00 -1.10 0.00 0.00 41.96 41.13 1a8r s TYR 125 CO 0.00 -0.57 0.24 0.42 -2.51 0.00 0.00 175.55 173.13 1a8r s ILE 126 N -1.27 5.14 0.26 -3.49 1.01 -0.84 -0.93 121.20 121.09 1a8r s ILE 126 Ca -0.11 -0.37 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 1a8r s ILE 126 Cb -0.01 -3.70 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 1a8r s ILE 126 CO 0.08 -0.07 1.57 -2.65 0.00 0.00 0.00 174.94 173.87 1a8r n PRO 127 N 5.09 2.52 0.00 2.79 -0.02 -1.26 -4.87 135.00 139.25 1a8r n PRO 127 Ca -0.12 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1a8r n PRO 127 Cb 0.49 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 2.50 0.00 0.02 -0.52 4.81 -1.26 -4.59 118.16 119.12 1a8r n LYS 128 Ca 0.11 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.66 1a8r n LYS 128 Cb 0.35 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.34 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 0.49 -4.07 3.14 8.00 -1.26 -4.78 116.55 118.07 1a8r n ASP 129 Ca 0.00 -0.15 -0.10 0.00 0.71 0.00 0.00 54.79 55.26 1a8r n ASP 129 Cb 0.00 1.16 -0.11 0.00 -0.02 0.00 0.00 41.12 42.15 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 -4.24 0.65 -0.21 -2.24 1.04 -1.26 -1.50 113.70 105.95 1a8r s SER 130 Ca -0.00 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.63 1a8r s SER 130 Cb 0.14 0.11 -0.00 0.00 0.10 0.00 0.00 66.02 66.37 1a8r s SER 130 CO 0.84 -0.40 -0.08 -0.69 0.98 0.00 0.00 173.24 173.89 1a8r s VAL 131 N -2.63 3.05 0.51 5.02 1.01 0.68 -4.76 120.40 123.28 1a8r s VAL 131 Ca -0.02 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 1a8r s VAL 131 Cb -0.01 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.92 1a8r s VAL 131 CO -0.04 0.45 0.97 -0.51 0.00 0.00 0.00 175.10 175.97 1a8r s ILE 132 N 1.42 4.57 0.25 2.22 2.07 -1.26 -0.77 121.20 129.70 1a8r s ILE 132 Ca 0.05 1.13 -0.30 0.00 -1.41 0.00 0.00 60.65 60.13 1a8r s ILE 132 Cb -0.14 -3.73 -0.10 0.00 0.13 0.00 0.00 42.46 38.62 1a8r s ILE 132 CO -0.06 -0.71 1.40 -0.83 -1.91 0.00 0.00 174.94 172.84 1a8r s GLY 133 N -3.17 2.43 0.19 1.50 0.00 -0.55 -4.92 107.32 102.80 1a8r s GLY 133 Ca 0.58 1.28 -0.12 0.00 0.00 0.00 0.00 44.72 46.46 1a8r s GLY 133 CO 0.33 2.20 1.72 1.41 0.00 0.00 0.00 173.10 178.77 1a8r h LEU 134 N 4.88 0.07 -2.12 0.66 3.38 -1.94 -1.89 115.31 118.35 1a8r h LEU 134 Ca -0.46 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1a8r h LEU 134 Cb 1.22 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1a8r h LEU 134 CO 0.76 0.06 -0.03 0.77 0.09 0.00 0.00 178.44 180.09 1a8r h SER 135 N 0.28 0.00 -0.76 -0.43 4.64 -2.00 -2.41 113.55 112.88 1a8r h SER 135 Ca 0.27 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1a8r h SER 135 Cb 0.35 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 1a8r h SER 135 CO -0.32 0.03 0.50 0.11 -0.87 0.00 0.00 176.83 176.28 1a8r h LYS 136 N 0.00 0.99 -0.58 4.77 1.79 -1.70 0.87 116.57 122.71 1a8r h LYS 136 Ca -0.00 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1a8r h LYS 136 Cb 0.06 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 1a8r h LYS 136 CO 0.00 0.66 0.30 0.82 -1.08 0.00 0.00 179.45 180.15 1a8r h ILE 137 N 1.02 1.20 -0.11 1.86 2.04 -1.49 0.41 117.51 122.44 1a8r h ILE 137 Ca 0.28 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1a8r h ILE 137 Cb -0.11 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1a8r h ILE 137 CO -0.06 0.22 0.05 0.78 0.00 0.00 0.00 178.15 179.14 1a8r h ASN 138 N 0.79 0.14 -0.76 1.72 2.35 -1.24 -1.87 115.58 116.71 1a8r h ASN 138 Ca 0.20 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1a8r h ASN 138 Cb 0.07 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 1a8r h ASN 138 CO -0.03 0.23 0.39 0.03 -1.65 0.00 0.00 177.43 176.40 1a8r h ARG 139 N 0.04 1.07 -0.40 0.81 3.08 -0.65 -1.69 114.38 116.65 1a8r h ARG 139 Ca 0.04 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1a8r h ARG 139 Cb 0.13 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1a8r h ARG 139 CO -0.00 0.81 0.16 0.82 -1.07 0.00 0.00 179.97 180.69 1a8r h ILE 140 N 1.05 1.19 -0.35 2.04 2.04 -0.75 0.38 117.51 123.12 1a8r h ILE 140 Ca 0.26 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1a8r h ILE 140 Cb 0.07 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1a8r h ILE 140 CO -0.04 0.22 0.19 0.58 0.00 0.00 0.00 178.15 179.09 1a8r h VAL 141 N 0.50 1.01 -0.16 1.67 2.07 -1.17 -2.30 116.25 117.86 1a8r h VAL 141 Ca 0.13 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1a8r h VAL 141 Cb 0.18 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1a8r h VAL 141 CO -0.01 0.07 -0.30 1.56 0.02 0.00 0.00 177.57 178.91 1a8r h GLN 142 N 0.38 0.31 0.42 1.57 1.08 -0.94 -1.55 115.11 116.38 1a8r h GLN 142 Ca 0.14 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1a8r h GLN 142 Cb 0.03 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1a8r h GLN 142 CO -0.08 0.59 -0.29 0.35 -0.95 0.00 0.00 178.83 178.44 1a8r h PHE 143 N 0.27 -0.77 0.00 2.96 3.57 0.29 -0.62 116.94 122.65 1a8r h PHE 143 Ca 0.04 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1a8r h PHE 143 Cb 0.68 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1a8r h PHE 143 CO 0.01 -0.44 -0.07 0.74 -2.23 0.00 0.00 178.31 176.32 1a8r h PHE 144 N -0.69 0.00 -0.01 0.41 0.04 -1.42 -3.05 116.94 112.22 1a8r h PHE 144 Ca -0.04 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.49 1a8r h PHE 144 Cb 0.58 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.75 1a8r h PHE 144 CO -0.12 0.07 -0.97 0.00 -0.60 0.00 0.00 178.31 176.69 1a8r h ALA 145 N 1.93 0.27 0.00 2.45 0.00 -0.78 -3.36 119.26 119.77 1a8r h ALA 145 Ca -0.00 -0.70 -0.64 0.00 0.00 0.00 0.00 54.91 53.57 1a8r h ALA 145 Cb 0.54 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1a8r h ALA 145 CO 0.01 0.76 2.70 1.04 0.00 0.00 0.00 179.25 183.75 1a8r n GLN 146 N -3.80 2.13 -3.45 0.00 1.13 -0.28 -4.26 117.38 108.84 1a8r n GLN 146 Ca -0.08 -2.06 -0.12 0.00 -1.94 0.00 0.00 57.00 52.80 1a8r n GLN 146 Cb 0.85 -2.97 -0.02 0.00 0.11 0.00 0.00 30.24 28.20 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 4.07 1.13 0.07 -1.09 0.52 -1.04 -0.93 118.95 121.68 1a8r s ARG 147 Ca 0.53 -0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 55.08 1a8r s ARG 147 Cb 0.14 0.52 -0.07 0.00 0.52 0.00 0.00 34.95 36.06 1a8r s ARG 147 CO 0.02 -0.48 1.39 -2.14 0.02 0.00 0.00 175.30 174.11 1a8r s PRO 148 N -3.29 4.31 0.30 3.54 0.02 -1.26 -3.81 135.00 134.81 1a8r s PRO 148 Ca 0.01 2.03 0.04 0.00 0.02 0.00 0.00 61.00 63.09 1a8r s PRO 148 Cb -0.01 -3.38 -0.06 0.00 0.02 0.00 0.00 34.50 31.07 1a8r s PRO 148 CO -0.10 -0.48 0.05 -0.65 -0.33 0.00 0.00 177.00 175.50 1a8r s GLN 149 N 1.59 1.58 -0.16 5.54 -1.52 0.12 -4.69 119.66 122.13 1a8r s GLN 149 Ca 0.64 -1.86 -0.01 0.00 -1.95 0.00 0.00 55.36 52.18 1a8r s GLN 149 Cb -0.35 -0.77 0.04 0.00 -0.22 0.00 0.00 33.01 31.71 1a8r s GLN 149 CO 0.29 -0.18 -0.05 0.08 -0.25 0.00 0.00 175.29 175.18 1a8r s VAL 150 N -3.36 1.03 0.31 1.09 1.01 -1.26 -1.56 120.40 117.66 1a8r s VAL 150 Ca 0.36 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.86 1a8r s VAL 150 Cb 0.08 -1.21 0.31 0.00 0.00 0.00 0.00 36.38 35.56 1a8r s VAL 150 CO 0.14 0.14 1.73 -0.61 0.00 0.00 0.00 175.10 176.50 1a8r h GLN 151 N 8.14 0.57 -0.66 2.72 4.15 -1.99 0.39 115.11 128.44 1a8r h GLN 151 Ca -0.24 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.11 1a8r h GLN 151 Cb 1.11 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.65 1a8r h GLN 151 CO 0.39 0.38 0.26 0.93 -1.93 0.00 0.00 178.83 178.86 1a8r h GLU 152 N 0.59 0.96 -0.00 1.69 3.07 -1.99 -1.88 114.58 117.02 1a8r h GLU 152 Ca 0.63 -0.16 -0.17 0.00 -0.50 0.00 0.00 59.36 59.15 1a8r h GLU 152 Cb 1.16 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1a8r h GLU 152 CO -0.47 0.79 -0.68 -0.09 -1.40 0.00 0.00 179.01 177.16 1a8r h ARG 153 N 0.95 0.46 -0.81 2.33 2.43 -1.44 -3.18 114.38 115.12 1a8r h ARG 153 Ca 0.22 -0.50 0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1a8r h ARG 153 Cb 0.18 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 29.78 1a8r h ARG 153 CO -0.02 1.14 0.41 1.25 -1.51 0.00 0.00 179.97 181.24 1a8r h LEU 154 N -0.02 0.50 -0.40 3.80 5.85 -0.80 0.13 115.31 124.38 1a8r h LEU 154 Ca -0.08 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1a8r h LEU 154 Cb 1.38 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1a8r h LEU 154 CO 0.13 0.23 0.06 0.74 -0.34 0.00 0.00 178.44 179.27 1a8r h THR 155 N 0.62 1.24 -0.20 1.05 2.02 -1.41 -2.40 112.91 113.82 1a8r h THR 155 Ca 0.43 -0.87 0.02 0.00 0.77 0.00 0.00 66.41 66.75 1a8r h THR 155 Cb 0.56 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1a8r h THR 155 CO -0.34 0.30 0.07 1.56 0.37 0.00 0.00 175.52 177.48 1a8r h GLN 156 N 0.51 0.16 -0.36 6.66 1.08 -1.32 -2.08 115.11 119.76 1a8r h GLN 156 Ca 0.12 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.36 1a8r h GLN 156 Cb 0.37 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 1a8r h GLN 156 CO 0.01 0.10 0.08 1.96 -0.95 0.00 0.00 178.83 180.03 1a8r h GLN 157 N 0.16 0.20 -0.49 1.46 4.20 -0.84 -1.48 115.11 118.31 1a8r h GLN 157 Ca 0.09 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1a8r h GLN 157 Cb 0.05 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1a8r h GLN 157 CO -0.09 0.13 0.24 0.82 -0.67 0.00 0.00 178.83 179.26 1a8r h ILE 158 N 0.21 1.19 0.30 2.54 2.04 -1.32 -0.49 117.51 121.97 1a8r h ILE 158 Ca 0.17 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1a8r h ILE 158 Cb 0.19 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1a8r h ILE 158 CO -0.22 0.21 -0.37 0.25 0.00 0.00 0.00 178.15 178.02 1a8r h LEU 159 N 0.65 -1.03 -0.44 1.44 5.85 -0.95 -0.73 115.31 120.10 1a8r h LEU 159 Ca 0.17 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1a8r h LEU 159 Cb 0.11 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1a8r h LEU 159 CO -0.02 -0.50 0.28 0.40 -0.34 0.00 0.00 178.44 178.27 1a8r h ILE 160 N -0.72 1.10 -0.25 4.05 1.08 -1.21 -0.34 117.51 121.23 1a8r h ILE 160 Ca -0.01 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.30 1a8r h ILE 160 Cb 0.67 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 1a8r h ILE 160 CO -0.11 0.11 -0.02 0.00 -0.69 0.00 0.00 178.15 177.44 1a8r h ALA 161 N 1.17 0.20 -0.23 1.87 0.00 -0.90 -0.11 119.26 121.26 1a8r h ALA 161 Ca 0.16 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1a8r h ALA 161 Cb -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1a8r h ALA 161 CO -0.05 -0.44 0.10 -0.07 0.00 0.00 0.00 179.25 178.79 1a8r h LEU 162 N 0.05 0.32 -0.41 0.00 3.38 -0.84 -0.82 115.31 116.99 1a8r h LEU 162 Ca 0.12 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1a8r h LEU 162 Cb 0.16 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1a8r h LEU 162 CO -0.22 0.39 -0.05 1.56 0.09 0.00 0.00 178.44 180.22 1a8r h GLN 163 N 0.23 0.05 0.11 1.13 4.20 -0.69 0.28 115.11 120.42 1a8r h GLN 163 Ca 0.08 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1a8r h GLN 163 Cb 0.17 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1a8r h GLN 163 CO -0.01 0.04 -0.27 1.15 -0.67 0.00 0.00 178.83 179.06 1a8r h THR 164 N 0.06 0.40 -0.63 -0.54 2.02 -0.78 0.17 112.91 113.60 1a8r h THR 164 Ca 0.20 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.31 1a8r h THR 164 Cb 0.30 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1a8r h THR 164 CO -0.37 0.00 0.12 -0.07 0.37 0.00 0.00 175.52 175.57 1a8r h LEU 165 N -0.48 0.96 0.00 2.58 3.38 -0.54 -3.13 115.31 118.08 1a8r h LEU 165 Ca 0.03 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1a8r h LEU 165 Cb 0.51 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1a8r h LEU 165 CO -0.17 0.94 -0.29 -0.07 0.09 0.00 0.00 178.44 178.94 1a8r h LEU 166 N 0.96 0.00 0.13 1.67 3.38 -0.30 -3.48 115.31 117.66 1a8r h LEU 166 Ca 0.20 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 1a8r h LEU 166 Cb 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.15 1a8r h LEU 166 CO 0.01 0.01 -0.24 0.61 0.09 0.00 0.00 178.44 178.92 1a8r n GLY 167 N 1.13 0.20 3.31 0.83 0.00 0.57 -4.69 105.19 106.54 1a8r n GLY 167 Ca 0.03 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.76 0.04 -0.93 2.61 2.01 -1.12 -4.92 115.64 110.58 1a8r s THR 168 Ca 0.11 -0.35 0.24 0.00 0.31 0.00 0.00 61.69 62.00 1a8r s THR 168 Cb -0.05 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1a8r s THR 168 CO 0.14 -0.19 1.26 0.59 -0.69 0.00 0.00 174.62 175.73 1a8r n ASN 169 N 1.15 0.62 -3.99 3.53 3.02 -1.26 -4.32 115.26 114.00 1a8r n ASN 169 Ca -0.21 -0.37 -0.40 0.00 -0.03 0.00 0.00 54.58 53.57 1a8r n ASN 169 Cb 0.56 0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 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 -1.59 3.46 -3.95 6.41 3.02 -1.26 -0.89 115.26 120.45 1a8r n ASN 170 Ca 0.05 -2.77 -0.10 0.00 -0.03 0.00 0.00 54.58 51.72 1a8r n ASN 170 Cb 0.35 -1.50 -0.11 0.00 -0.61 0.00 0.00 39.78 37.91 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 5.38 0.09 -0.00 2.41 1.01 -1.23 -1.98 120.40 126.08 1a8r s VAL 171 Ca 0.56 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1a8r s VAL 171 Cb 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.23 1a8r s VAL 171 CO 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 175.10 174.73 1a8r s ALA 172 N -1.20 0.18 -0.03 5.51 0.00 0.34 -0.11 121.76 126.45 1a8r s ALA 172 Ca -0.13 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1a8r s ALA 172 Cb -0.08 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1a8r s ALA 172 CO -0.01 0.04 -0.05 0.08 0.00 0.00 0.00 175.76 175.83 1a8r s VAL 173 N -0.10 0.49 -0.01 0.00 1.01 -0.00 -1.59 120.40 120.20 1a8r s VAL 173 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1a8r s VAL 173 Cb -0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1a8r s VAL 173 CO -0.00 0.19 -0.09 -0.55 0.00 0.00 0.00 175.10 174.65 1a8r s SER 174 N 0.64 1.14 -0.03 3.32 0.15 0.02 -0.19 113.70 118.75 1a8r s SER 174 Ca -0.08 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.41 1a8r s SER 174 Cb -0.11 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 1a8r s SER 174 CO -0.00 0.10 -0.07 -0.63 1.20 0.00 0.00 173.24 173.84 1a8r s ILE 175 N -0.11 0.63 -0.09 6.45 1.01 0.37 -0.60 121.20 128.86 1a8r s ILE 175 Ca 0.02 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1a8r s ILE 175 Cb -0.05 -0.58 0.01 0.00 0.01 0.00 0.00 42.46 41.84 1a8r s ILE 175 CO -0.00 0.21 -0.19 -0.62 0.00 0.00 0.00 174.94 174.34 1a8r s ASP 176 N 0.32 2.61 0.10 3.58 -1.08 -0.30 -1.01 116.67 120.90 1a8r s ASP 176 Ca -0.04 -0.47 -0.17 0.00 -0.52 0.00 0.00 52.55 51.35 1a8r s ASP 176 Cb -0.09 -1.20 0.04 0.00 -1.46 0.00 0.00 42.92 40.21 1a8r s ASP 176 CO 0.00 0.11 0.40 0.00 0.52 0.00 0.00 175.17 176.20 1a8r s ALA 177 N 0.50 -0.96 -0.17 3.66 0.00 0.06 -0.69 121.76 124.16 1a8r s ALA 177 Ca -0.16 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 1a8r s ALA 177 Cb -0.17 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1a8r s ALA 177 CO 0.06 -0.59 -0.04 0.08 0.00 0.00 0.00 175.76 175.28 1a8r s VAL 178 N -3.41 3.80 -0.34 0.00 1.01 0.60 -0.54 120.40 121.52 1a8r s VAL 178 Ca 0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 1a8r s VAL 178 Cb 0.01 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.72 1a8r s VAL 178 CO -0.09 0.48 0.18 -1.00 0.00 0.00 0.00 175.10 174.66 1a8r s HIS 179 N 0.56 3.21 -0.78 5.22 3.76 -1.26 -1.02 115.29 124.97 1a8r s HIS 179 Ca -0.03 -0.72 0.14 0.00 -0.15 0.00 0.00 55.06 54.30 1a8r s HIS 179 Cb -0.14 -2.40 0.64 0.00 1.11 0.00 0.00 32.58 31.79 1a8r s HIS 179 CO 0.03 -0.53 1.45 0.66 -0.85 0.00 0.00 174.74 175.49 1a8r n TYR 180 N 4.99 0.28 0.43 1.40 4.02 -0.20 -0.73 117.16 127.35 1a8r n TYR 180 Ca -0.13 0.12 0.13 0.00 -0.01 0.00 0.00 57.90 58.01 1a8r n TYR 180 Cb 0.48 -0.69 0.38 0.00 -0.02 0.00 0.00 39.34 39.49 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 -2.62 1.55 0.04 0.00 0.31 0.09 -4.32 118.33 113.39 1a8r n VAL 182 Ca 0.04 -0.39 -0.11 0.00 -0.01 0.00 0.00 64.34 63.86 1a8r n VAL 182 Cb 0.41 -1.79 -0.08 0.00 -0.91 0.00 0.00 33.84 31.48 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 -0.66 -0.17 -0.63 5.55 3.64 -1.16 -1.02 116.57 122.12 1a8r h LYS 183 Ca -0.59 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1a8r h LYS 183 Cb 1.67 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1a8r h LYS 183 CO -0.26 0.29 0.00 0.00 -2.27 0.00 0.00 179.45 177.21 1a8r n ALA 184 N -2.54 3.07 -3.81 5.00 0.00 -0.40 -3.74 120.51 118.09 1a8r n ALA 184 Ca -0.08 -1.28 -0.05 0.00 0.00 0.00 0.00 53.44 52.03 1a8r n ALA 184 Cb 0.27 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.87 1.56 4.60 0.00 3.52 -1.24 -4.97 118.95 120.55 1a8r s ARG 185 Ca 0.41 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 1a8r s ARG 185 Cb 0.27 0.50 0.00 0.00 -1.56 0.00 0.00 34.95 34.16 1a8r s ARG 185 CO 0.18 -0.72 0.00 0.41 -0.81 0.00 0.00 175.30 174.37 1a8r n GLY 186 N -0.50 2.87 0.29 8.12 0.00 -1.26 -0.37 105.19 114.34 1a8r n GLY 186 Ca -0.05 0.31 0.17 0.00 0.00 0.00 0.00 46.02 46.44 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 0.31 -6.32 -0.61 6.09 -1.84 -3.47 117.51 111.67 1a8r h ILE 187 Ca 0.00 -0.31 -0.46 0.00 -1.37 0.00 0.00 64.86 62.72 1a8r h ILE 187 Cb 0.00 1.23 0.04 0.00 0.47 0.00 0.00 36.82 38.56 1a8r h ILE 187 CO 0.00 0.05 -0.92 0.54 -3.07 0.00 0.00 178.15 174.75 1a8r n ARG 188 N -3.42 -2.12 -3.00 2.19 1.74 0.50 -4.91 116.66 107.64 1a8r n ARG 188 Ca -0.02 0.44 -0.43 0.00 -0.77 0.00 0.00 57.85 57.07 1a8r n ARG 188 Cb 0.18 -4.27 -0.05 0.00 -1.02 0.00 0.00 32.46 27.29 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 -3.83 6.30 0.47 0.55 -1.08 -0.68 -4.89 116.67 113.51 1a8r s ASP 189 Ca 0.29 -0.54 0.30 0.00 -0.52 0.00 0.00 52.55 52.08 1a8r s ASP 189 Cb -0.11 -2.36 1.15 0.00 -1.46 0.00 0.00 42.92 40.14 1a8r s ASP 189 CO 0.87 -1.02 1.88 0.00 0.52 0.00 0.00 175.17 177.42 1a8r h ALA 190 N 9.11 1.00 0.00 3.66 0.00 -1.87 -3.35 119.26 127.80 1a8r h ALA 190 Ca -0.26 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1a8r h ALA 190 Cb 1.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1a8r h ALA 190 CO 1.01 0.00 -2.01 0.25 0.00 0.00 0.00 179.25 178.50 1a8r n THR 191 N -2.91 0.60 -1.42 0.00 -2.24 -1.26 -5.04 114.28 102.01 1a8r n THR 191 Ca 0.01 -0.58 -0.32 0.00 -2.27 0.00 0.00 64.05 60.90 1a8r n THR 191 Cb 0.33 -0.24 0.08 0.00 -2.10 0.00 0.00 70.33 68.40 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 -4.62 4.55 0.06 3.42 1.04 -1.26 -5.08 113.70 111.82 1a8r s SER 192 Ca -0.08 1.98 -0.13 0.00 0.48 0.00 0.00 55.95 58.20 1a8r s SER 192 Cb 0.08 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.68 1a8r s SER 192 CO 0.73 -2.00 0.29 0.00 0.98 0.00 0.00 173.24 173.24 1a8r s ALA 193 N -2.57 -0.62 -0.03 5.32 0.00 -1.26 -4.80 121.76 117.79 1a8r s ALA 193 Ca 0.65 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1a8r s ALA 193 Cb -0.20 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1a8r s ALA 193 CO 0.49 -0.44 -0.22 0.99 0.00 0.00 0.00 175.76 176.58 1a8r s THR 194 N -2.85 2.36 -0.07 0.00 2.01 0.29 -4.93 115.64 112.46 1a8r s THR 194 Ca -0.03 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.03 1a8r s THR 194 Cb 0.00 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.65 1a8r s THR 194 CO -0.05 0.58 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.34 1a8r s THR 195 N -0.60 1.89 0.03 -0.82 2.01 -1.26 -0.77 115.64 116.13 1a8r s THR 195 Ca 0.09 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.17 1a8r s THR 195 Cb -0.11 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1a8r s THR 195 CO -0.00 0.53 -0.10 0.42 -0.69 0.00 0.00 174.62 174.77 1a8r s THR 196 N 0.06 0.77 0.04 -0.82 -4.23 -0.18 -4.99 115.64 106.29 1a8r s THR 196 Ca -0.09 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 1a8r s THR 196 Cb -0.15 -0.73 -0.02 0.00 1.34 0.00 0.00 72.50 72.94 1a8r s THR 196 CO 0.05 -0.10 -0.08 0.42 -0.54 0.00 0.00 174.62 174.37 1a8r s THR 197 N -0.87 0.56 -0.18 3.99 -4.23 -1.26 -0.48 115.64 113.17 1a8r s THR 197 Ca -0.02 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1a8r s THR 197 Cb -0.07 -0.60 0.06 0.00 1.34 0.00 0.00 72.50 73.22 1a8r s THR 197 CO 0.01 -0.30 0.03 -0.44 -0.54 0.00 0.00 174.62 173.38 1a8r s SER 198 N -1.37 2.72 -0.16 3.99 0.01 0.73 -4.98 113.70 114.65 1a8r s SER 198 Ca -0.08 -0.72 -0.05 0.00 1.31 0.00 0.00 55.95 56.41 1a8r s SER 198 Cb -0.09 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 1a8r s SER 198 CO 0.00 -0.29 0.01 -0.76 0.41 0.00 0.00 173.24 172.61 1a8r s LEU 199 N 1.88 3.55 0.20 2.44 1.43 -1.26 -0.82 118.68 126.10 1a8r s LEU 199 Ca -0.00 0.00 0.10 0.00 -1.03 0.00 0.00 54.13 53.20 1a8r s LEU 199 Cb -0.16 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1a8r s LEU 199 CO -0.08 0.20 -0.19 -0.83 0.23 0.00 0.00 176.35 175.68 1a8r s GLY 200 N 0.22 1.56 0.00 -3.19 0.00 0.84 -4.54 107.32 102.22 1a8r s GLY 200 Ca 0.01 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1a8r s GLY 200 CO 0.02 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.03 1a8r n GLY 201 N -0.05 3.15 0.31 0.20 0.00 -0.07 -1.65 105.19 107.08 1a8r n GLY 201 Ca -0.10 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.94 0.99 3.38 -1.93 -0.22 115.31 115.59 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 -0.08 -0.26 0.09 0.00 0.00 178.44 178.19 1a8r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.58 0.86 116.94 117.38 1a8r h PHE 203 Ca 0.07 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.51 1a8r h PHE 203 Cb 0.29 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 1a8r h PHE 203 CO 0.00 0.08 -1.97 1.17 -0.60 0.00 0.00 178.31 176.99 1a8r n LYS 204 N -3.40 0.57 0.38 1.51 3.00 -0.42 -4.07 118.16 115.73 1a8r n LYS 204 Ca -0.01 0.32 -0.15 0.00 -0.00 0.00 0.00 58.31 58.47 1a8r n LYS 204 Cb 0.24 -1.54 -0.07 0.00 0.00 0.00 0.00 35.03 33.66 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 -0.84 -3.58 3.14 0.02 -1.03 -3.43 113.55 106.83 1a8r h SER 205 Ca -0.49 0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 59.92 1a8r h SER 205 Cb 1.41 0.22 -0.07 0.00 0.14 0.00 0.00 62.40 64.09 1a8r h SER 205 CO -0.30 -0.52 0.85 -0.55 -1.14 0.00 0.00 176.83 175.18 1a8r s SER 206 N -4.04 6.71 0.50 3.07 0.15 0.29 -4.91 113.70 115.47 1a8r s SER 206 Ca -0.14 0.61 0.16 0.00 0.70 0.00 0.00 55.95 57.28 1a8r s SER 206 Cb 0.01 -2.53 1.20 0.00 -1.71 0.00 0.00 66.02 62.99 1a8r s SER 206 CO 0.43 -1.10 2.10 -0.61 1.20 0.00 0.00 173.24 175.26 1a8r h GLN 207 N 8.84 0.00 0.20 5.44 4.15 -1.83 0.15 115.11 132.05 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 1.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1a8r h GLN 207 CO 1.08 0.06 -0.09 -0.97 -1.93 0.00 0.00 178.83 176.98 1a8r h ASN 208 N 0.00 -0.22 -0.39 -0.69 -1.24 -1.91 -0.87 115.58 110.26 1a8r h ASN 208 Ca -0.00 -0.11 -0.04 0.00 0.71 0.00 0.00 56.30 56.86 1a8r h ASN 208 Cb 0.11 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 1a8r h ASN 208 CO 0.01 -0.03 0.07 0.74 -1.29 0.00 0.00 177.43 176.93 1a8r h THR 209 N -0.41 1.24 -0.04 -3.57 2.02 -1.65 -2.66 112.91 107.84 1a8r h THR 209 Ca -0.03 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1a8r h THR 209 Cb 0.32 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1a8r h THR 209 CO 0.04 0.29 -0.17 -0.09 0.37 0.00 0.00 175.52 175.96 1a8r h ARG 210 N 0.49 -0.26 0.00 6.66 2.43 -0.63 -2.27 114.38 120.80 1a8r h ARG 210 Ca 0.12 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1a8r h ARG 210 Cb 0.36 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1a8r h ARG 210 CO 0.01 -0.17 -0.21 0.45 -1.51 0.00 0.00 179.97 178.54 1a8r h HIS 211 N -0.26 0.00 -0.25 2.20 3.86 -1.17 -1.15 115.15 118.38 1a8r h HIS 211 Ca 0.07 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1a8r h HIS 211 Cb 0.35 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1a8r h HIS 211 CO -0.24 0.21 0.02 0.93 0.86 0.00 0.00 177.93 179.71 1a8r h GLU 212 N 0.00 0.43 0.30 2.45 5.08 -1.12 0.14 114.58 121.86 1a8r h GLU 212 Ca -0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1a8r h GLU 212 Cb 0.75 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1a8r h GLU 212 CO 0.03 0.57 -0.14 0.35 -1.00 0.00 0.00 179.01 178.82 1a8r h PHE 213 N 0.22 -0.37 -0.87 4.33 3.57 -1.18 -2.46 116.94 120.18 1a8r h PHE 213 Ca 0.07 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1a8r h PHE 213 Cb 0.37 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 1a8r h PHE 213 CO 0.03 -0.12 0.57 -0.07 -2.23 0.00 0.00 178.31 176.49 1a8r h LEU 214 N -0.58 0.87 -0.48 0.59 3.38 -1.13 -1.68 115.31 116.28 1a8r h LEU 214 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1a8r h LEU 214 Cb 0.42 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1a8r h LEU 214 CO 0.07 0.56 0.17 -0.09 0.09 0.00 0.00 178.44 179.24 1a8r h ARG 215 N 0.98 0.73 -0.32 1.13 2.43 -0.68 -2.78 114.38 115.87 1a8r h ARG 215 Ca 0.37 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1a8r h ARG 215 Cb 0.20 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1a8r h ARG 215 CO -0.14 0.67 0.19 0.00 -1.51 0.00 0.00 179.97 179.18 1a8r h ALA 216 N 1.02 1.74 -2.58 2.80 0.00 -0.83 -3.44 119.26 117.97 1a8r h ALA 216 Ca 0.16 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.48 1a8r h ALA 216 Cb 0.22 -0.13 0.08 0.00 0.00 0.00 0.00 17.79 17.96 1a8r h ALA 216 CO -0.01 0.23 0.80 0.28 0.00 0.00 0.00 179.25 180.55 1a8r n VAL 217 N -4.47 0.83 -2.39 0.00 0.31 -0.81 -4.31 118.33 107.49 1a8r n VAL 217 Ca 0.02 -0.21 -0.01 0.00 -0.01 0.00 0.00 64.34 64.13 1a8r n VAL 217 Cb 0.08 -1.77 -0.01 0.00 -0.91 0.00 0.00 33.84 31.23 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 2.37 -2.77 -3.82 5.55 3.00 -1.26 -5.04 116.66 114.70 1a8r n ARG 218 Ca 0.11 2.31 -0.30 0.00 -0.00 0.00 0.00 57.85 59.97 1a8r n ARG 218 Cb 0.34 -4.25 -0.15 0.00 0.00 0.00 0.00 32.46 28.40 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 -1.10 2.07 -0.34 -0.14 3.76 -1.26 -5.09 115.29 113.19 1a8r s HIS 219 Ca -0.04 -1.82 -0.35 0.00 -0.15 0.00 0.00 55.06 52.71 1a8r s HIS 219 Cb 0.00 -1.78 -0.11 0.00 1.11 0.00 0.00 32.58 31.80 1a8r s HIS 219 CO 0.59 -0.83 2.17 0.72 -0.85 0.00 0.00 174.74 176.54 1a8r n HIS 220 N 4.75 1.64 -0.19 1.40 8.25 -1.26 -5.04 115.22 124.77 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 -2.54 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