#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 -5.15 113.62 108.86 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 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 3.67 0.79 2.46 1.43 -1.26 -5.01 118.68 120.76 1a8r s LEU 3 Ca 0.00 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 1a8r s LEU 3 Cb 0.00 -4.58 0.06 0.00 0.03 0.00 0.00 46.19 41.70 1a8r s LEU 3 CO 0.00 -1.42 1.09 -0.94 0.23 0.00 0.00 176.35 175.31 1a8r s SER 4 N -1.79 4.59 0.25 2.29 1.04 -1.26 -4.83 113.70 113.99 1a8r s SER 4 Ca 0.74 1.34 -0.04 0.00 0.48 0.00 0.00 55.95 58.47 1a8r s SER 4 Cb -0.26 -2.09 0.38 0.00 0.10 0.00 0.00 66.02 64.15 1a8r s SER 4 CO 0.31 -1.91 1.84 0.11 0.98 0.00 0.00 173.24 174.57 1a8r h LYS 5 N -1.05 0.93 -0.24 4.02 1.57 -1.99 -1.38 116.57 118.42 1a8r h LYS 5 Ca -0.47 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.22 1a8r h LYS 5 Cb 1.26 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1a8r h LYS 5 CO 0.59 0.61 0.01 0.93 -0.57 0.00 0.00 179.45 181.03 1a8r h GLU 6 N 0.96 0.42 -0.48 3.15 3.07 -1.97 -0.97 114.58 118.75 1a8r h GLU 6 Ca 0.40 -0.13 0.06 0.00 -0.50 0.00 0.00 59.36 59.19 1a8r h GLU 6 Cb 0.25 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.07 1a8r h GLU 6 CO -0.20 0.58 0.18 0.00 -1.40 0.00 0.00 179.01 178.17 1a8r h ALA 7 N 0.82 0.59 0.21 3.43 0.00 -1.76 0.42 119.26 122.97 1a8r h ALA 7 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1a8r h ALA 7 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a8r h ALA 7 CO 0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 179.25 178.96 1a8r h ALA 8 N 1.31 -0.28 -0.03 0.00 0.00 -1.17 -0.50 119.26 118.60 1a8r h ALA 8 Ca 0.23 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1a8r h ALA 8 Cb 0.22 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1a8r h ALA 8 CO -0.22 -0.60 -0.21 -0.07 0.00 0.00 0.00 179.25 178.16 1a8r h LEU 9 N -0.39 -0.62 -0.01 0.00 3.38 -0.73 -0.10 115.31 116.84 1a8r h LEU 9 Ca -0.03 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1a8r h LEU 9 Cb 0.30 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1a8r h LEU 9 CO 0.05 -0.27 -0.12 0.58 0.09 0.00 0.00 178.44 178.77 1a8r h VAL 10 N -0.32 0.70 -0.51 1.22 2.07 -0.89 0.83 116.25 119.34 1a8r h VAL 10 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1a8r h VAL 10 Cb 0.41 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1a8r h VAL 10 CO -0.21 0.00 0.12 -0.74 0.02 0.00 0.00 177.57 176.76 1a8r h HIS 11 N -0.20 0.19 -0.02 1.57 -0.00 -0.76 -0.67 115.15 115.27 1a8r h HIS 11 Ca 0.05 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.45 1a8r h HIS 11 Cb 0.26 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1a8r h HIS 11 CO -0.19 0.01 -0.02 0.93 -0.00 0.00 0.00 177.93 178.67 1a8r h GLU 12 N 0.26 -0.02 -0.66 5.26 5.08 -0.60 -1.43 114.58 122.47 1a8r h GLU 12 Ca 0.26 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.71 1a8r h GLU 12 Cb 0.34 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 1a8r h GLU 12 CO -0.32 -0.01 0.31 0.00 -1.00 0.00 0.00 179.01 177.98 1a8r h ALA 13 N 0.99 0.90 -0.28 3.43 0.00 -0.03 -0.41 119.26 123.85 1a8r h ALA 13 Ca 0.01 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1a8r h ALA 13 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1a8r h ALA 13 CO -0.03 -0.10 0.00 -0.07 0.00 0.00 0.00 179.25 179.06 1a8r h LEU 14 N 0.53 0.48 -0.49 0.00 3.38 -0.90 -2.17 115.31 116.15 1a8r h LEU 14 Ca 0.33 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1a8r h LEU 14 Cb 0.36 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1a8r h LEU 14 CO -0.27 0.67 0.31 0.58 0.09 0.00 0.00 178.44 179.82 1a8r h VAL 15 N 0.28 1.09 -0.85 1.22 2.07 -0.89 0.11 116.25 119.29 1a8r h VAL 15 Ca 0.08 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.49 1a8r h VAL 15 Cb 0.42 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1a8r h VAL 15 CO 0.01 0.11 0.49 0.00 0.02 0.00 0.00 177.57 178.21 1a8r h ALA 16 N 1.20 1.22 -0.01 1.67 0.00 -0.95 0.15 119.26 122.54 1a8r h ALA 16 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1a8r h ALA 16 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1a8r h ALA 16 CO -0.06 0.10 -0.07 0.54 0.00 0.00 0.00 179.25 179.77 1a8r n ARG 17 N -4.74 0.96 -1.97 0.00 3.00 -0.83 -4.91 116.66 108.18 1a8r n ARG 17 Ca 0.14 -0.34 -0.13 0.00 -0.01 0.00 0.00 57.85 57.51 1a8r n ARG 17 Cb 0.30 -1.49 -0.02 0.00 0.00 0.00 0.00 32.46 31.24 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 1.20 0.35 0.58 -0.13 0.00 0.04 -4.90 105.19 102.32 1a8r n GLY 18 Ca 0.17 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.80 2.06 -4.76 0.99 4.77 0.21 -4.98 117.00 113.49 1a8r n LEU 19 Ca -0.15 -0.70 -0.38 0.00 -0.03 0.00 0.00 56.01 54.74 1a8r n LEU 19 Cb 0.56 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1a8r n LEU 19 CO 0.19 0.36 0.95 -1.61 -1.33 0.00 0.00 177.39 175.95 1a8r s GLU 20 N -2.28 3.38 0.25 3.23 0.41 -1.22 -4.83 118.70 117.63 1a8r s GLU 20 Ca 0.25 2.12 -0.30 0.00 -0.41 0.00 0.00 54.97 56.63 1a8r s GLU 20 Cb 0.19 -2.35 -0.09 0.00 -1.78 0.00 0.00 34.13 30.10 1a8r s GLU 20 CO 0.45 -0.96 1.30 0.99 -0.49 0.00 0.00 175.26 176.55 1a8r s THR 21 N -1.36 3.02 -0.77 3.63 2.01 -1.26 -4.81 115.64 116.10 1a8r s THR 21 Ca 0.68 0.91 -0.16 0.00 0.31 0.00 0.00 61.69 63.43 1a8r s THR 21 Cb -0.37 -3.58 -0.20 0.00 0.01 0.00 0.00 72.50 68.36 1a8r s THR 21 CO 0.45 0.17 2.03 -2.65 -0.69 0.00 0.00 174.62 173.93 1a8r n PRO 22 N 1.88 0.20 -4.84 4.92 -0.02 -1.26 -4.87 135.00 131.01 1a8r n PRO 22 Ca 0.04 -0.59 -0.25 0.00 -2.02 0.00 0.00 63.50 60.68 1a8r n PRO 22 Cb 0.42 -2.42 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 1a8r n PRO 22 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1a8r s LEU 23 N 8.06 2.02 0.02 2.45 2.96 -1.26 -5.14 118.68 127.79 1a8r s LEU 23 Ca 0.87 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 54.35 1a8r s LEU 23 Cb -0.32 -0.91 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 1a8r s LEU 23 CO 0.24 0.21 0.37 -0.13 -1.32 0.00 0.00 176.35 175.72 1a8r s ARG 24 N -0.36 3.78 0.66 1.98 0.52 -1.26 -5.07 118.95 119.20 1a8r s ARG 24 Ca 0.06 0.23 -0.17 0.00 -0.52 0.00 0.00 55.73 55.32 1a8r s ARG 24 Cb -0.07 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 1a8r s ARG 24 CO -0.00 0.64 1.14 -2.30 0.02 0.00 0.00 175.30 174.79 1a8r n PRO 25 N 1.38 0.87 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.22 1a8r n PRO 25 Ca -0.12 0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 61.50 1a8r n PRO 25 Cb 0.53 -2.37 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 1a8r n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a8r n PRO 26 N -1.76 0.38 -0.14 0.52 -0.02 -1.26 -4.77 135.00 127.94 1a8r n PRO 26 Ca 0.15 -0.39 -0.02 0.00 -2.02 0.00 0.00 63.50 61.21 1a8r n PRO 26 Cb 0.48 -2.57 0.20 0.00 -0.02 0.00 0.00 33.50 31.59 1a8r n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1a8r h VAL 27 N 7.49 1.22 -2.87 -1.45 2.07 -2.04 -3.43 116.25 117.24 1a8r h VAL 27 Ca -0.02 -0.74 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 1a8r h VAL 27 Cb 1.10 0.58 -0.26 0.00 -1.52 0.00 0.00 31.29 31.20 1a8r h VAL 27 CO 1.27 0.29 -0.34 -1.00 0.02 0.00 0.00 177.57 177.80 1a8r s HIS 28 N -5.31 -0.42 -1.48 1.57 3.76 -1.26 -5.05 115.29 107.10 1a8r s HIS 28 Ca -0.10 0.98 -0.10 0.00 -0.15 0.00 0.00 55.06 55.68 1a8r s HIS 28 Cb 0.16 0.15 0.02 0.00 1.11 0.00 0.00 32.58 34.01 1a8r s HIS 28 CO 0.80 -0.22 2.50 0.39 -0.85 0.00 0.00 174.74 177.35 1a8r n GLU 29 N 3.39 3.57 -3.33 1.40 1.02 -1.26 -4.93 120.64 120.51 1a8r n GLU 29 Ca -0.17 -2.71 -0.38 0.00 -0.02 0.00 0.00 57.16 53.88 1a8r n GLU 29 Cb 0.56 -2.94 -0.06 0.00 -0.02 0.00 0.00 31.44 28.98 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 1.72 4.24 0.30 3.49 1.75 -1.26 -5.03 119.30 124.51 1a8r s MET 30 Ca 0.56 0.52 -0.30 0.00 -1.25 0.00 0.00 55.69 55.23 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 0.34 1.58 -3.47 -0.65 0.00 0.00 175.02 172.76 1a8r n ASP 31 N 2.96 3.84 -0.40 1.11 -0.08 -1.26 -4.88 116.55 117.84 1a8r n ASP 31 Ca -0.09 1.16 0.32 0.00 -1.51 0.00 0.00 54.79 54.67 1a8r n ASP 31 Cb 0.52 -1.60 0.61 0.00 2.34 0.00 0.00 41.12 42.99 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 4.55 0.30 -0.72 1.67 4.21 -2.00 -1.30 115.58 122.28 1a8r h ASN 32 Ca -0.47 0.11 0.08 0.00 1.21 0.00 0.00 56.30 57.22 1a8r h ASN 32 Cb 1.23 0.08 -0.07 0.00 -1.12 0.00 0.00 38.32 38.44 1a8r h ASN 32 CO 0.77 -0.08 0.39 -0.33 -1.29 0.00 0.00 177.43 176.90 1a8r h GLU 33 N 0.19 0.66 -0.37 0.81 5.08 -1.99 0.15 114.58 119.11 1a8r h GLU 33 Ca 0.73 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.99 1a8r h GLU 33 Cb 2.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 1a8r h GLU 33 CO -0.35 0.44 -0.01 1.15 -1.00 0.00 0.00 179.01 179.24 1a8r h THR 34 N 0.68 1.26 -0.34 1.13 2.02 -1.60 -0.12 112.91 115.94 1a8r h THR 34 Ca 0.34 -1.02 0.05 0.00 0.77 0.00 0.00 66.41 66.56 1a8r h THR 34 Cb 0.29 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 1a8r h THR 34 CO -0.23 0.34 0.06 0.03 0.37 0.00 0.00 175.52 176.08 1a8r h ARG 35 N 0.47 0.16 -0.61 6.66 3.08 -1.34 0.16 114.38 122.96 1a8r h ARG 35 Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1a8r h ARG 35 Cb 0.49 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1a8r h ARG 35 CO 0.02 0.11 0.40 0.87 -1.07 0.00 0.00 179.97 180.30 1a8r h LYS 36 N 0.17 0.81 -0.25 0.04 1.57 -0.37 0.14 116.57 118.67 1a8r h LYS 36 Ca 0.16 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 1a8r h LYS 36 Cb 0.19 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1a8r h LYS 36 CO -0.22 0.54 -0.44 0.66 -0.57 0.00 0.00 179.45 179.42 1a8r h SER 37 N 0.83 0.83 -0.12 0.86 4.64 0.26 -0.38 113.55 120.46 1a8r h SER 37 Ca 0.22 -0.53 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1a8r h SER 37 Cb -0.08 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 1a8r h SER 37 CO -0.05 1.20 0.06 -0.07 -0.87 0.00 0.00 176.83 177.10 1a8r h LEU 38 N 0.48 0.16 -0.61 5.97 3.38 0.04 -0.58 115.31 124.14 1a8r h LEU 38 Ca 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1a8r h LEU 38 Cb 1.05 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1a8r h LEU 38 CO 0.10 0.24 0.39 0.40 0.09 0.00 0.00 178.44 179.66 1a8r h ILE 39 N 0.07 1.17 -0.71 1.22 2.04 -0.77 -1.57 117.51 118.96 1a8r h ILE 39 Ca 0.04 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1a8r h ILE 39 Cb 0.13 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 1a8r h ILE 39 CO -0.01 0.17 0.43 0.00 0.00 0.00 0.00 178.15 178.74 1a8r h ALA 40 N 1.20 0.94 0.05 1.87 0.00 -0.68 -0.95 119.26 121.70 1a8r h ALA 40 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1a8r h ALA 40 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1a8r h ALA 40 CO -0.04 0.16 -0.06 0.78 0.00 0.00 0.00 179.25 180.09 1a8r h GLY 41 N 0.81 -0.11 0.53 0.00 0.00 -0.44 0.64 103.07 104.51 1a8r h GLY 41 Ca 0.30 0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.78 1a8r h GLY 41 CO -0.14 -0.06 0.35 0.45 0.00 0.00 0.00 176.54 177.13 1a8r h HIS 42 N -0.13 0.63 -0.55 5.60 -0.00 -0.76 -0.88 115.15 119.06 1a8r h HIS 42 Ca 0.01 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 1a8r h HIS 42 Cb 0.13 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 1a8r h HIS 42 CO -0.10 0.25 0.09 0.52 -0.00 0.00 0.00 177.93 178.69 1a8r h MET 43 N 0.61 0.87 -0.45 2.45 2.86 -0.66 -0.74 114.93 119.87 1a8r h MET 43 Ca 0.33 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1a8r h MET 43 Cb 0.31 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1a8r h MET 43 CO -0.24 0.81 0.28 1.15 1.06 0.00 0.00 176.91 179.97 1a8r h THR 44 N 0.83 1.13 0.26 2.22 2.02 0.11 -0.62 112.91 118.85 1a8r h THR 44 Ca 0.17 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1a8r h THR 44 Cb 0.37 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1a8r h THR 44 CO 0.01 0.12 -0.23 -0.33 0.37 0.00 0.00 175.52 175.46 1a8r h GLU 45 N 0.60 -0.49 -0.21 6.66 4.39 -0.69 -1.04 114.58 123.80 1a8r h GLU 45 Ca 0.16 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.95 1a8r h GLU 45 Cb -0.04 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 1a8r h GLU 45 CO -0.03 -0.32 -0.14 0.82 -1.16 0.00 0.00 179.01 178.18 1a8r h ILE 46 N -0.50 0.60 -0.62 3.13 2.04 -0.90 0.17 117.51 121.43 1a8r h ILE 46 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1a8r h ILE 46 Cb 0.46 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1a8r h ILE 46 CO -0.03 0.00 0.41 0.24 0.00 0.00 0.00 178.15 178.76 1a8r h MET 47 N -0.13 0.60 -0.44 2.37 2.86 -0.94 0.16 114.93 119.42 1a8r h MET 47 Ca 0.12 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 1a8r h MET 47 Cb 0.31 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1a8r h MET 47 CO -0.29 0.40 -0.21 1.96 1.06 0.00 0.00 176.91 179.83 1a8r h GLN 48 N 0.62 0.92 0.00 1.72 4.20 0.20 -0.62 115.11 122.15 1a8r h GLN 48 Ca 0.26 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1a8r h GLN 48 Cb 0.25 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1a8r h GLN 48 CO -0.08 1.06 -0.06 -0.07 -0.67 0.00 0.00 178.83 179.01 1a8r h LEU 49 N 0.75 0.00 -0.81 1.46 3.38 0.20 0.25 115.31 120.54 1a8r h LEU 49 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 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 0.06 -0.03 0.18 0.09 0.00 0.00 178.44 178.80 1a8r n LEU 50 N -4.08 1.29 -2.45 1.67 4.77 -0.16 -4.94 117.00 113.10 1a8r n LEU 50 Ca -0.03 -0.42 -0.18 0.00 -0.03 0.00 0.00 56.01 55.36 1a8r n LEU 50 Cb 0.14 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1a8r n LEU 50 CO 0.31 0.22 -0.01 0.59 -1.33 0.00 0.00 177.39 177.16 1a8r n ASN 51 N -0.04 -5.27 -4.74 -1.43 3.02 0.88 -5.00 115.26 102.68 1a8r n ASN 51 Ca 0.19 -0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 54.12 1a8r n ASN 51 Cb 0.33 -4.13 -0.05 0.00 -0.61 0.00 0.00 39.78 35.32 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 -5.47 4.42 -1.09 3.41 1.43 -0.31 -4.98 118.68 116.09 1a8r s LEU 52 Ca 0.23 1.37 -0.22 0.00 -1.03 0.00 0.00 54.13 54.48 1a8r s LEU 52 Cb -0.10 -3.17 0.04 0.00 0.03 0.00 0.00 46.19 42.99 1a8r s LEU 52 CO 0.28 -0.01 1.59 -0.62 0.23 0.00 0.00 176.35 177.83 1a8r s ASP 53 N 0.13 6.40 0.00 2.29 2.15 -1.26 -4.59 116.67 121.79 1a8r s ASP 53 Ca 0.38 -1.64 0.02 0.00 0.43 0.00 0.00 52.55 51.74 1a8r s ASP 53 Cb -0.20 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 39.96 1a8r s ASP 53 CO 0.21 -1.61 0.59 0.18 -0.17 0.00 0.00 175.17 174.38 1a8r n LEU 54 N 9.47 0.00 0.08 -1.34 4.77 -1.26 -1.10 117.00 127.62 1a8r n LEU 54 Ca 0.38 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.32 1a8r n LEU 54 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 1a8r n LEU 54 CO 0.68 0.00 0.20 0.00 -1.33 0.00 0.00 177.39 176.94 1a8r h ALA 55 N 2.10 0.47 -2.82 -1.18 0.00 -1.94 -3.27 119.26 112.62 1a8r h ALA 55 Ca 0.00 -0.80 -0.53 0.00 0.00 0.00 0.00 54.91 53.58 1a8r h ALA 55 Cb 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 17.79 17.78 1a8r h ALA 55 CO 0.00 1.07 0.87 0.34 0.00 0.00 0.00 179.25 181.54 1a8r s ASP 56 N -6.59 6.37 0.33 0.00 2.15 -0.26 -4.77 116.67 113.90 1a8r s ASP 56 Ca 0.02 2.97 0.07 0.00 0.43 0.00 0.00 52.55 56.03 1a8r s ASP 56 Cb 0.09 -2.64 0.74 0.00 -0.30 0.00 0.00 42.92 40.81 1a8r s ASP 56 CO 0.80 -0.91 1.85 -2.24 -0.17 0.00 0.00 175.17 174.50 1a8r h ASP 57 N 4.60 0.74 0.31 -0.34 2.03 -1.89 0.21 116.42 122.09 1a8r h ASP 57 Ca -0.48 0.05 -0.09 0.00 -0.73 0.00 0.00 57.03 55.78 1a8r h ASP 57 Cb 1.22 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 39.61 1a8r h ASP 57 CO 0.77 0.37 -0.40 -1.28 -1.03 0.00 0.00 179.24 177.67 1a8r h SER 58 N 0.78 0.12 0.16 4.15 0.87 -1.95 -3.30 113.55 114.38 1a8r h SER 58 Ca 0.48 -0.05 -0.31 0.00 -1.23 0.00 0.00 61.79 60.68 1a8r h SER 58 Cb 0.69 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.56 1a8r h SER 58 CO -0.24 0.51 -2.15 0.18 -0.53 0.00 0.00 176.83 174.60 1a8r n LEU 59 N -4.05 0.25 -0.34 2.23 4.77 -0.47 -4.61 117.00 114.78 1a8r n LEU 59 Ca -0.02 0.12 0.06 0.00 -0.03 0.00 0.00 56.01 56.14 1a8r n LEU 59 Cb 0.45 0.36 0.13 0.00 -2.33 0.00 0.00 43.42 42.04 1a8r n LEU 59 CO 0.40 0.42 0.63 0.80 -1.33 0.00 0.00 177.39 178.31 1a8r n MET 60 N -2.79 -0.09 0.00 3.23 1.56 0.61 -0.85 117.12 118.79 1a8r n MET 60 Ca -0.26 1.49 0.14 0.00 -0.27 0.00 0.00 57.70 58.80 1a8r n MET 60 Cb 1.07 -2.22 0.50 0.00 2.15 0.00 0.00 33.22 34.72 1a8r n MET 60 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1a8r n GLU 61 N -5.55 0.83 -0.21 2.12 -0.58 -1.26 -4.39 120.64 111.60 1a8r n GLU 61 Ca 0.15 -0.40 0.01 0.00 -0.42 0.00 0.00 57.16 56.50 1a8r n GLU 61 Cb 0.48 -1.49 0.12 0.00 -0.57 0.00 0.00 31.44 29.97 1a8r n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1a8r h THR 62 N 0.99 0.72 -0.73 2.62 2.02 -1.25 -0.83 112.91 116.45 1a8r h THR 62 Ca 0.00 -0.12 0.09 0.00 0.77 0.00 0.00 66.41 67.15 1a8r h THR 62 Cb 0.43 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 1a8r h THR 62 CO 0.00 0.07 0.37 -0.65 0.37 0.00 0.00 175.52 175.68 1a8r h PRO 63 N 0.36 0.61 -0.31 6.66 0.11 -1.77 0.69 132.00 138.36 1a8r h PRO 63 Ca 0.32 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.35 1a8r h PRO 63 Cb 0.44 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1a8r h PRO 63 CO -0.35 0.41 0.01 1.25 -0.21 0.00 0.00 178.00 179.11 1a8r h HIS 64 N 0.63 0.59 -0.91 0.65 -0.00 -1.66 -1.52 115.15 112.93 1a8r h HIS 64 Ca 0.36 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.62 1a8r h HIS 64 Cb 0.36 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.57 1a8r h HIS 64 CO -0.10 0.67 0.55 0.00 -0.00 0.00 0.00 177.93 179.05 1a8r h ARG 65 N 0.35 1.24 -0.32 5.26 3.08 -0.36 -0.63 114.38 122.99 1a8r h ARG 65 Ca 0.09 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1a8r h ARG 65 Cb 0.43 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1a8r h ARG 65 CO 0.01 0.87 -0.16 0.82 -1.07 0.00 0.00 179.97 180.44 1a8r h ILE 66 N 1.26 1.29 -0.20 2.04 2.04 -0.80 -0.10 117.51 123.04 1a8r h ILE 66 Ca 0.33 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 64.93 1a8r h ILE 66 Cb -0.05 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1a8r h ILE 66 CO -0.06 0.41 0.07 0.00 0.00 0.00 0.00 178.15 178.57 1a8r h ALA 67 N 0.77 0.22 -0.59 1.87 0.00 -0.97 -0.15 119.26 120.41 1a8r h ALA 67 Ca 0.07 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1a8r h ALA 67 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1a8r h ALA 67 CO 0.05 -0.35 0.39 -0.22 0.00 0.00 0.00 179.25 179.12 1a8r h LYS 68 N 0.17 0.77 -0.24 0.00 3.64 -1.06 -0.96 116.57 118.89 1a8r h LYS 68 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1a8r h LYS 68 Cb 0.05 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1a8r h LYS 68 CO -0.08 0.51 0.15 1.98 -2.27 0.00 0.00 179.45 179.74 1a8r h MET 69 N 0.80 0.32 0.16 1.90 4.05 -0.52 0.27 114.93 121.91 1a8r h MET 69 Ca 0.22 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 1a8r h MET 69 Cb -0.09 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.64 1a8r h MET 69 CO -0.05 0.24 -0.08 1.88 0.23 0.00 0.00 176.91 179.13 1a8r h TYR 70 N 0.31 -0.20 0.45 1.39 0.05 -0.76 0.24 116.97 118.45 1a8r h TYR 70 Ca 0.09 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1a8r h TYR 70 Cb -0.01 0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1a8r h TYR 70 CO -0.05 0.05 -0.22 0.28 -1.05 0.00 0.00 178.16 177.17 1a8r h VAL 71 N -0.44 0.00 0.00 -2.88 2.07 -1.19 -3.29 116.25 110.52 1a8r h VAL 71 Ca -0.02 -0.49 -0.17 0.00 0.82 0.00 0.00 66.70 66.84 1a8r h VAL 71 Cb 0.35 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1a8r h VAL 71 CO 0.04 0.00 -0.98 0.44 0.02 0.00 0.00 177.57 177.08 1a8r h ASP 72 N -1.10 0.00 0.00 0.57 3.32 -0.64 -3.40 116.42 115.17 1a8r h ASP 72 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1a8r h ASP 72 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1a8r h ASP 72 CO 0.10 0.70 0.00 -0.62 -1.72 0.00 0.00 179.24 177.70 1a8r n GLU 73 N -3.15 0.00 0.25 3.56 1.02 -0.21 -4.57 120.64 117.53 1a8r n GLU 73 Ca -0.03 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.27 1a8r n GLU 73 Cb 0.85 0.00 0.77 0.00 -0.02 0.00 0.00 31.44 33.04 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 0.13 -0.25 -3.67 3.07 -1.28 -0.64 117.51 114.87 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 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 37.19 1a8r h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1a8r n PHE 75 N -3.17 0.59 -0.13 0.16 3.72 -1.24 -2.67 117.46 114.72 1a8r n PHE 75 Ca 0.01 -0.71 0.20 0.00 -0.05 0.00 0.00 57.45 56.90 1a8r n PHE 75 Cb 0.48 -0.17 0.60 0.00 -0.94 0.00 0.00 39.48 39.46 1a8r n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a8r h SER 76 N 1.56 0.21 0.21 4.37 4.64 -1.09 -1.52 113.55 121.94 1a8r h SER 76 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1a8r h SER 76 Cb 1.05 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1a8r h SER 76 CO 0.10 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 1a8r n GLY 77 N -1.59 -0.77 0.18 -0.77 0.00 -0.15 -1.78 105.19 100.31 1a8r n GLY 77 Ca 0.15 0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.23 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 -8.54 0.99 3.38 -1.38 -3.41 115.31 106.34 1a8r h LEU 78 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1a8r h LEU 78 Cb 0.11 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.67 1a8r h LEU 78 CO 0.00 0.42 -0.20 -0.62 0.09 0.00 0.00 178.44 178.13 1a8r s ASP 79 N -6.54 6.20 0.00 -0.43 2.15 -0.73 -4.94 116.67 112.37 1a8r s ASP 79 Ca -0.00 -0.66 0.02 0.00 0.43 0.00 0.00 52.55 52.34 1a8r s ASP 79 Cb 0.11 -2.23 0.10 0.00 -0.30 0.00 0.00 42.92 40.61 1a8r s ASP 79 CO 0.70 -0.58 0.87 -1.22 -0.17 0.00 0.00 175.17 174.77 1a8r n TYR 80 N 5.61 0.00 0.29 -5.34 4.02 -1.26 -0.68 117.16 119.80 1a8r n TYR 80 Ca -0.07 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 57.99 1a8r n TYR 80 Cb 0.47 -0.29 0.66 0.00 -0.02 0.00 0.00 39.34 40.17 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 2.09 1.00 -0.66 -0.72 0.00 -1.92 -1.95 119.26 117.10 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 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 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 -3.01 4.74 -4.76 0.00 3.02 0.14 -4.97 115.26 110.42 1a8r n ASN 82 Ca 0.01 -2.42 -0.41 0.00 -0.03 0.00 0.00 54.58 51.73 1a8r n ASN 82 Cb 0.30 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.79 3.17 0.60 3.10 5.36 -0.74 -4.96 117.98 122.73 1a8r s PHE 83 Ca 0.51 1.45 -0.19 0.00 -0.96 0.00 0.00 56.93 57.74 1a8r s PHE 83 Cb 0.33 -3.60 -0.03 0.00 -0.34 0.00 0.00 43.02 39.38 1a8r s PHE 83 CO 0.25 -1.62 1.26 -1.25 -1.46 0.00 0.00 175.22 172.40 1a8r s PRO 84 N -1.55 2.86 -0.11 10.12 0.04 -1.26 -4.95 135.00 140.15 1a8r s PRO 84 Ca 0.49 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 1a8r s PRO 84 Cb -0.38 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1a8r s PRO 84 CO 0.49 -1.33 1.18 0.15 0.04 0.00 0.00 177.00 177.54 1a8r s LYS 85 N -3.27 4.32 -0.11 4.56 1.02 -1.26 -4.94 119.74 120.05 1a8r s LYS 85 Ca 0.78 1.61 -0.14 0.00 0.02 0.00 0.00 55.97 58.25 1a8r s LYS 85 Cb -0.34 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.29 1a8r s LYS 85 CO 0.37 -0.53 0.32 0.42 -0.92 0.00 0.00 175.35 175.02 1a8r s ILE 86 N 2.66 5.25 -0.03 2.17 -1.09 -1.26 -4.95 121.20 123.95 1a8r s ILE 86 Ca 0.54 0.62 0.03 0.00 -2.23 0.00 0.00 60.65 59.61 1a8r s ILE 86 Cb -0.22 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1a8r s ILE 86 CO 0.18 0.45 -0.13 0.42 -1.23 0.00 0.00 174.94 174.63 1a8r s THR 87 N -0.04 1.08 0.13 2.92 -4.23 -1.26 -5.09 115.64 109.15 1a8r s THR 87 Ca 0.19 -0.52 0.05 0.00 -1.18 0.00 0.00 61.69 60.22 1a8r s THR 87 Cb -0.14 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.71 1a8r s THR 87 CO 0.07 0.32 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.60 1a8r s LEU 88 N 0.14 2.49 0.03 4.79 1.43 -1.26 -1.39 118.68 124.91 1a8r s LEU 88 Ca -0.04 -0.95 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 1a8r s LEU 88 Cb -0.10 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 1a8r s LEU 88 CO 0.01 -0.29 -0.11 0.27 0.23 0.00 0.00 176.35 176.46 1a8r s ILE 89 N -2.99 0.85 0.26 -0.59 -4.36 0.33 -4.94 121.20 109.76 1a8r s ILE 89 Ca 0.14 -0.88 -0.30 0.00 -0.26 0.00 0.00 60.65 59.34 1a8r s ILE 89 Cb 0.00 -0.79 -0.13 0.00 1.25 0.00 0.00 42.46 42.79 1a8r s ILE 89 CO 0.01 -0.07 1.32 1.21 0.24 0.00 0.00 174.94 177.65 1a8r n GLU 90 N 1.98 1.93 -1.35 0.37 2.13 -1.26 -0.12 120.64 124.31 1a8r n GLU 90 Ca -0.18 0.68 -0.39 0.00 0.66 0.00 0.00 57.16 57.93 1a8r n GLU 90 Cb 0.55 -2.28 -0.03 0.00 0.27 0.00 0.00 31.44 29.96 1a8r n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1a8r n ASN 91 N 1.72 7.85 0.20 4.31 5.15 0.29 -4.50 115.26 130.28 1a8r n ASN 91 Ca 0.10 -2.60 0.05 0.00 -0.60 0.00 0.00 54.58 51.52 1a8r n ASN 91 Cb 0.32 -1.56 0.43 0.00 -0.53 0.00 0.00 39.78 38.45 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 5.22 0.00 0.00 1.20 1.57 -1.87 -1.47 116.57 121.22 1a8r h LYS 92 Ca 0.82 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.60 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 1.79 0.31 0.00 0.52 -0.57 0.00 0.00 179.45 181.51 1a8r h MET 93 N 0.00 0.00 -5.81 3.15 2.86 -1.99 -3.45 114.93 109.68 1a8r h MET 93 Ca -0.00 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.26 1a8r h MET 93 Cb 0.60 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.40 1a8r h MET 93 CO 0.04 0.00 -0.73 1.63 1.06 0.00 0.00 176.91 178.92 1a8r n LYS 94 N -2.67 -7.21 -2.54 1.72 5.02 -0.55 -4.94 118.16 106.99 1a8r n LYS 94 Ca -0.01 0.81 -0.42 0.00 -2.02 0.00 0.00 58.31 56.67 1a8r n LYS 94 Cb 0.12 -5.83 -0.03 0.00 -0.02 0.00 0.00 35.03 29.28 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 -3.35 4.45 -0.13 -0.18 1.01 -1.26 -4.90 120.40 116.04 1a8r s VAL 95 Ca 0.35 1.75 0.19 0.00 0.00 0.00 0.00 61.98 64.27 1a8r s VAL 95 Cb -0.16 -4.13 0.44 0.00 0.00 0.00 0.00 36.38 32.54 1a8r s VAL 95 CO 0.74 -0.01 1.18 -0.90 0.00 0.00 0.00 175.10 176.11 1a8r n ASP 96 N 5.23 1.69 -4.20 3.32 5.75 -1.26 -4.33 116.55 122.75 1a8r n ASP 96 Ca 0.10 -2.80 -0.21 0.00 -0.01 0.00 0.00 54.79 51.87 1a8r n ASP 96 Cb 0.47 -0.40 -0.13 0.00 -1.03 0.00 0.00 41.12 40.03 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 -1.91 1.00 0.62 0.11 0.41 -1.26 -4.96 118.70 112.70 1a8r s GLU 97 Ca 0.36 -0.93 -0.18 0.00 -0.41 0.00 0.00 54.97 53.81 1a8r s GLU 97 Cb 0.38 -1.08 -0.02 0.00 -1.78 0.00 0.00 34.13 31.62 1a8r s GLU 97 CO -0.10 0.26 1.21 0.00 -0.49 0.00 0.00 175.26 176.14 1a8r s MET 98 N -1.48 2.84 -0.16 1.61 0.23 -1.26 -4.33 119.30 116.74 1a8r s MET 98 Ca 0.02 1.81 -0.01 0.00 -1.03 0.00 0.00 55.69 56.48 1a8r s MET 98 Cb -0.09 -1.91 -0.01 0.00 -1.53 0.00 0.00 34.83 31.29 1a8r s MET 98 CO 0.02 -1.31 -0.11 0.08 -2.03 0.00 0.00 175.02 171.68 1a8r s VAL 99 N -1.66 3.10 -0.07 5.16 1.01 0.01 -4.92 120.40 123.02 1a8r s VAL 99 Ca 0.77 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 62.18 1a8r s VAL 99 Cb -0.30 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1a8r s VAL 99 CO 0.35 0.49 -0.25 -0.89 0.00 0.00 0.00 175.10 174.81 1a8r s THR 100 N 0.80 2.05 -0.26 3.92 2.01 -1.26 -2.22 115.64 120.68 1a8r s THR 100 Ca -0.04 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 1a8r s THR 100 Cb -0.15 -1.74 0.03 0.00 0.01 0.00 0.00 72.50 70.65 1a8r s THR 100 CO 0.01 0.56 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.75 1a8r s VAL 101 N 0.00 2.80 0.33 3.82 1.01 0.55 -4.99 120.40 123.92 1a8r s VAL 101 Ca -0.09 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 60.83 1a8r s VAL 101 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1a8r s VAL 101 CO 0.05 0.14 0.26 0.00 0.00 0.00 0.00 175.10 175.55 1a8r s ARG 102 N 1.29 2.68 -1.57 2.72 1.70 -1.26 -0.95 118.95 123.57 1a8r s ARG 102 Ca -0.01 -1.32 -0.15 0.00 -0.47 0.00 0.00 55.73 53.78 1a8r s ARG 102 Cb -0.17 -2.43 0.10 0.00 -0.57 0.00 0.00 34.95 31.87 1a8r s ARG 102 CO -0.04 0.12 0.95 -0.25 -1.08 0.00 0.00 175.30 175.00 1a8r n ASP 103 N -1.32 -4.50 -4.67 -2.89 8.00 -1.12 -4.92 116.55 105.13 1a8r n ASP 103 Ca -0.02 -0.82 -0.42 0.00 0.71 0.00 0.00 54.79 54.23 1a8r n ASP 103 Cb 0.60 -3.67 -0.03 0.00 -0.02 0.00 0.00 41.12 38.01 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 -3.30 3.91 0.22 0.53 1.01 -0.17 -4.81 121.20 118.58 1a8r s ILE 104 Ca 0.68 1.16 -0.32 0.00 0.00 0.00 0.00 60.65 62.16 1a8r s ILE 104 Cb -0.34 -3.74 -0.13 0.00 0.01 0.00 0.00 42.46 38.25 1a8r s ILE 104 CO 0.85 -0.07 1.56 0.41 0.00 0.00 0.00 174.94 177.69 1a8r n THR 105 N 5.20 0.51 -3.74 2.92 -1.04 -1.26 -1.33 114.28 115.54 1a8r n THR 105 Ca 0.15 -0.13 -0.22 0.00 -2.04 0.00 0.00 64.05 61.81 1a8r n THR 105 Cb 0.44 -1.71 -0.18 0.00 -1.82 0.00 0.00 70.33 67.06 1a8r n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1a8r s LEU 106 N 0.40 0.44 -0.18 -4.42 0.20 -0.29 -4.77 118.68 110.07 1a8r s LEU 106 Ca 0.72 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 55.52 1a8r s LEU 106 Cb -0.59 -0.31 0.03 0.00 -0.43 0.00 0.00 46.19 44.88 1a8r s LEU 106 CO 0.43 -0.21 -0.13 0.42 -0.29 0.00 0.00 176.35 176.56 1a8r s THR 107 N 2.00 1.68 0.01 3.68 -4.23 -1.26 -1.17 115.64 116.35 1a8r s THR 107 Ca 0.04 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1a8r s THR 107 Cb -0.12 -1.64 -0.00 0.00 1.34 0.00 0.00 72.50 72.07 1a8r s THR 107 CO -0.04 0.34 0.01 -0.24 -0.54 0.00 0.00 174.62 174.15 1a8r n SER 108 N 4.71 0.39 -3.79 3.99 2.88 -0.45 -4.20 113.62 117.15 1a8r n SER 108 Ca -0.16 -1.07 -0.18 0.00 -1.33 0.00 0.00 58.87 56.12 1a8r n SER 108 Cb 0.48 0.05 -0.17 0.00 -0.75 0.00 0.00 64.21 63.82 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 -1.85 0.15 0.20 2.46 2.01 -1.25 -0.83 115.64 116.54 1a8r s THR 109 Ca 0.01 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 1a8r s THR 109 Cb 0.00 -0.28 -0.08 0.00 0.01 0.00 0.00 72.50 72.15 1a8r s THR 109 CO 0.01 0.16 1.21 0.00 -0.69 0.00 0.00 174.62 175.31 1a8r h GLU 111 N 5.12 0.00 -0.47 0.00 4.11 -1.32 0.34 114.58 122.36 1a8r h GLU 111 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.86 1a8r h GLU 111 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1a8r h GLU 111 CO 0.74 0.00 -0.18 0.66 0.07 0.00 0.00 179.01 180.30 1a8r h SER 112 N 0.00 0.94 0.00 3.06 4.64 -1.92 -3.36 113.55 116.92 1a8r h SER 112 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1a8r h SER 112 Cb 0.71 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1a8r h SER 112 CO 0.00 1.10 0.00 1.41 -0.87 0.00 0.00 176.83 178.47 1a8r n HIS 113 N -4.12 0.00 -3.66 4.77 8.25 -1.22 -5.02 115.22 114.21 1a8r n HIS 113 Ca 0.01 -0.01 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1a8r n HIS 113 Cb 0.43 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.01 -2.24 -4.38 4.41 3.01 0.12 -5.00 117.46 113.37 1a8r n PHE 114 Ca 0.00 0.91 -0.28 0.00 1.01 0.00 0.00 57.45 59.09 1a8r n PHE 114 Cb 0.10 -4.59 -0.12 0.00 -0.01 0.00 0.00 39.48 34.86 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 -3.45 2.50 0.12 -4.37 1.01 -1.21 -4.87 120.40 110.12 1a8r s VAL 115 Ca 0.25 -1.85 -0.36 0.00 0.00 0.00 0.00 61.98 60.02 1a8r s VAL 115 Cb -0.12 -2.18 -0.16 0.00 0.00 0.00 0.00 36.38 33.93 1a8r s VAL 115 CO 0.78 -0.04 1.41 0.41 0.00 0.00 0.00 175.10 177.67 1a8r n THR 116 N 0.47 0.05 -4.10 3.92 -1.04 -1.26 -0.69 114.28 111.62 1a8r n THR 116 Ca -0.14 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.52 1a8r n THR 116 Cb 0.55 -1.07 -0.15 0.00 -1.82 0.00 0.00 70.33 67.83 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 0.59 2.57 -0.27 12.58 1.01 -0.01 -1.14 121.20 136.52 1a8r s ILE 117 Ca 0.82 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 1a8r s ILE 117 Cb -0.85 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 39.54 1a8r s ILE 117 CO 0.44 0.50 -0.02 -0.62 0.00 0.00 0.00 174.94 175.24 1a8r s ASP 118 N 1.30 4.63 0.22 3.58 2.15 0.40 -1.34 116.67 127.62 1a8r s ASP 118 Ca 0.04 -1.01 -0.02 0.00 0.43 0.00 0.00 52.55 51.98 1a8r s ASP 118 Cb -0.14 -1.71 0.01 0.00 -0.30 0.00 0.00 42.92 40.79 1a8r s ASP 118 CO -0.08 -0.19 0.34 0.61 -0.17 0.00 0.00 175.17 175.68 1a8r n GLY 119 N 4.67 2.32 2.89 2.66 0.00 -0.32 -0.78 105.19 116.64 1a8r n GLY 119 Ca -0.15 -1.47 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.43 0.56 0.15 1.61 1.02 0.02 -1.14 119.74 119.53 1a8r s LYS 120 Ca 0.17 -0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.13 1a8r s LYS 120 Cb -0.01 -0.61 -0.04 0.00 -0.52 0.00 0.00 37.83 36.66 1a8r s LYS 120 CO 0.12 -0.03 0.11 0.00 -0.92 0.00 0.00 175.35 174.62 1a8r s ALA 121 N 0.62 3.51 -0.08 5.17 0.00 -0.44 -1.39 121.76 129.15 1a8r s ALA 121 Ca -0.07 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1a8r s ALA 121 Cb -0.11 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.72 1a8r s ALA 121 CO -0.00 0.54 -0.05 0.99 0.00 0.00 0.00 175.76 177.24 1a8r s THR 122 N -1.68 0.72 0.00 0.00 2.01 0.19 -1.00 115.64 115.89 1a8r s THR 122 Ca 0.30 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.22 1a8r s THR 122 Cb -0.10 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 1a8r s THR 122 CO 0.22 0.30 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.56 1a8r s VAL 123 N 1.42 1.59 0.04 3.82 1.01 -0.12 -1.41 120.40 126.75 1a8r s VAL 123 Ca -0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1a8r s VAL 123 Cb -0.13 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1a8r s VAL 123 CO -0.03 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.43 1a8r s ALA 124 N -0.58 0.27 -0.09 5.51 0.00 -0.68 -0.33 121.76 125.87 1a8r s ALA 124 Ca 0.08 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1a8r s ALA 124 Cb -0.08 0.24 0.10 0.00 0.00 0.00 0.00 23.12 23.38 1a8r s ALA 124 CO 0.00 -0.31 0.86 1.52 0.00 0.00 0.00 175.76 177.84 1a8r s TYR 125 N -3.01 -0.46 -0.34 0.00 1.13 -0.94 -1.07 117.35 112.66 1a8r s TYR 125 Ca -0.02 0.69 -0.11 0.00 -1.41 0.00 0.00 57.07 56.23 1a8r s TYR 125 Cb 0.01 0.46 0.00 0.00 -1.10 0.00 0.00 41.96 41.33 1a8r s TYR 125 CO -0.07 -0.48 0.19 0.42 -2.51 0.00 0.00 175.55 173.10 1a8r s ILE 126 N -1.60 4.74 0.28 -3.49 1.01 -0.58 -0.81 121.20 120.75 1a8r s ILE 126 Ca -0.03 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1a8r s ILE 126 Cb -0.00 -3.49 -0.11 0.00 0.01 0.00 0.00 42.46 38.86 1a8r s ILE 126 CO 0.02 -0.05 1.62 -2.84 0.00 0.00 0.00 174.94 173.68 1a8r s PRO 127 N 1.62 4.12 0.00 2.79 0.02 -1.26 -4.85 135.00 137.43 1a8r s PRO 127 Ca 0.04 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1a8r s PRO 127 Cb -0.18 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1a8r s PRO 127 CO 0.07 -0.66 0.00 1.17 -0.33 0.00 0.00 177.00 177.25 1a8r n LYS 128 N 2.41 0.00 -0.06 5.54 4.81 -1.26 -4.55 118.16 125.05 1a8r n LYS 128 Ca 0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.47 1a8r n LYS 128 Cb 0.37 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.27 1a8r n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1a8r n ASP 129 N -0.40 0.25 -4.18 3.14 8.00 -1.26 -4.80 116.55 117.29 1a8r n ASP 129 Ca 0.00 0.11 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 1a8r n ASP 129 Cb 0.00 0.86 -0.11 0.00 -0.02 0.00 0.00 41.12 41.85 1a8r n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a8r s SER 130 N -5.49 1.52 -0.14 -2.24 1.04 -1.26 -0.55 113.70 106.58 1a8r s SER 130 Ca -0.08 -0.80 -0.03 0.00 0.48 0.00 0.00 55.95 55.52 1a8r s SER 130 Cb 0.08 -0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 1a8r s SER 130 CO 0.84 -0.24 -0.04 -0.69 0.98 0.00 0.00 173.24 174.09 1a8r s VAL 131 N -2.33 3.85 0.30 5.02 1.01 0.83 -4.78 120.40 124.31 1a8r s VAL 131 Ca 0.05 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1a8r s VAL 131 Cb -0.04 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 1a8r s VAL 131 CO 0.01 0.51 0.65 -0.51 0.00 0.00 0.00 175.10 175.76 1a8r s ILE 132 N 0.22 4.83 0.09 2.22 2.07 -1.26 -0.51 121.20 128.85 1a8r s ILE 132 Ca -0.03 0.61 -0.31 0.00 -1.41 0.00 0.00 60.65 59.52 1a8r s ILE 132 Cb -0.14 -3.65 -0.09 0.00 0.13 0.00 0.00 42.46 38.72 1a8r s ILE 132 CO 0.03 -0.22 1.62 -0.83 -1.91 0.00 0.00 174.94 173.63 1a8r s GLY 133 N -2.57 1.57 0.23 1.50 0.00 -0.49 -4.89 107.32 102.67 1a8r s GLY 133 Ca 0.50 1.24 -0.10 0.00 0.00 0.00 0.00 44.72 46.36 1a8r s GLY 133 CO 0.23 2.80 1.63 1.41 0.00 0.00 0.00 173.10 179.17 1a8r h LEU 134 N 8.06 -0.45 -2.49 0.66 3.38 -1.95 -0.23 115.31 122.30 1a8r h LEU 134 Ca -0.42 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1a8r h LEU 134 Cb 1.20 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 1a8r h LEU 134 CO 0.92 -0.19 -0.02 0.77 0.09 0.00 0.00 178.44 180.02 1a8r h SER 135 N 0.06 0.00 -0.61 -0.43 4.64 -1.99 -2.19 113.55 113.03 1a8r h SER 135 Ca 0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 1a8r h SER 135 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1a8r h SER 135 CO -0.66 0.02 0.30 0.11 -0.87 0.00 0.00 176.83 175.73 1a8r h LYS 136 N 0.00 0.90 -0.27 4.77 1.79 -1.40 -0.33 116.57 122.03 1a8r h LYS 136 Ca -0.00 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1a8r h LYS 136 Cb 0.07 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1a8r h LYS 136 CO 0.00 0.70 0.15 0.82 -1.08 0.00 0.00 179.45 180.03 1a8r h ILE 137 N 0.90 1.12 -0.06 1.86 2.04 -1.46 -0.09 117.51 121.82 1a8r h ILE 137 Ca 0.22 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1a8r h ILE 137 Cb 0.10 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1a8r h ILE 137 CO -0.03 0.12 -0.04 0.78 0.00 0.00 0.00 178.15 178.98 1a8r h ASN 138 N 0.32 -0.13 -0.71 1.72 2.35 -1.45 -1.94 115.58 115.73 1a8r h ASN 138 Ca 0.09 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1a8r h ASN 138 Cb 0.06 0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 1a8r h ASN 138 CO -0.02 -0.06 0.45 0.03 -1.65 0.00 0.00 177.43 176.18 1a8r h ARG 139 N -0.05 0.97 -0.27 0.81 3.08 -0.83 -1.29 114.38 116.80 1a8r h ARG 139 Ca 0.04 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1a8r h ARG 139 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1a8r h ARG 139 CO -0.09 0.67 -0.07 0.82 -1.07 0.00 0.00 179.97 180.23 1a8r h ILE 140 N 0.99 1.28 -0.47 2.04 2.04 -0.65 0.15 117.51 122.89 1a8r h ILE 140 Ca 0.26 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1a8r h ILE 140 Cb -0.06 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1a8r h ILE 140 CO -0.05 0.35 0.23 0.58 0.00 0.00 0.00 178.15 179.25 1a8r h VAL 141 N 0.28 0.95 0.00 1.67 2.07 -1.00 -1.04 116.25 119.18 1a8r h VAL 141 Ca 0.07 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1a8r h VAL 141 Cb 0.55 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1a8r h VAL 141 CO 0.03 0.08 -0.39 1.56 0.02 0.00 0.00 177.57 178.87 1a8r h GLN 142 N 0.45 0.00 0.34 1.57 1.08 -1.05 -1.60 115.11 115.90 1a8r h GLN 142 Ca 0.21 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1a8r h GLN 142 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1a8r h GLN 142 CO -0.15 0.39 -0.16 0.35 -0.95 0.00 0.00 178.83 178.30 1a8r h PHE 143 N 0.00 -0.42 0.00 2.96 3.57 0.63 -1.74 116.94 121.94 1a8r h PHE 143 Ca -0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 1a8r h PHE 143 Cb 0.79 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1a8r h PHE 143 CO 0.00 -0.17 -0.39 0.74 -2.23 0.00 0.00 178.31 176.25 1a8r h PHE 144 N -0.59 0.00 -0.07 0.41 0.04 -1.40 -2.92 116.94 112.40 1a8r h PHE 144 Ca -0.05 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.62 1a8r h PHE 144 Cb 0.43 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1a8r h PHE 144 CO -0.02 0.39 -0.42 0.00 -0.60 0.00 0.00 178.31 177.66 1a8r h ALA 145 N 1.61 1.16 -0.10 2.45 0.00 -1.11 -3.30 119.26 119.97 1a8r h ALA 145 Ca -0.00 -0.41 -0.70 0.00 0.00 0.00 0.00 54.91 53.80 1a8r h ALA 145 Cb 0.78 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1a8r h ALA 145 CO 0.05 0.58 3.32 1.04 0.00 0.00 0.00 179.25 184.24 1a8r n GLN 146 N -4.02 3.36 -3.44 0.00 1.13 -0.67 -4.18 117.38 109.56 1a8r n GLN 146 Ca -0.02 -2.55 -0.12 0.00 -1.94 0.00 0.00 57.00 52.37 1a8r n GLN 146 Cb 0.47 -3.02 -0.02 0.00 0.11 0.00 0.00 30.24 27.78 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 2.32 1.18 -0.04 -1.09 0.52 -1.09 -0.98 118.95 119.77 1a8r s ARG 147 Ca 0.56 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 55.09 1a8r s ARG 147 Cb 0.16 0.54 -0.05 0.00 0.52 0.00 0.00 34.95 36.12 1a8r s ARG 147 CO -0.07 -0.50 1.51 -2.14 0.02 0.00 0.00 175.30 174.11 1a8r s PRO 148 N -3.42 4.23 0.39 3.54 0.02 -1.26 -3.81 135.00 134.68 1a8r s PRO 148 Ca 0.01 2.05 0.04 0.00 0.02 0.00 0.00 61.00 63.12 1a8r s PRO 148 Cb -0.01 -3.76 -0.05 0.00 0.02 0.00 0.00 34.50 30.70 1a8r s PRO 148 CO -0.10 -0.72 0.06 -0.65 -0.33 0.00 0.00 177.00 175.26 1a8r s GLN 149 N 3.22 1.87 -0.16 5.54 -1.52 0.14 -4.68 119.66 124.08 1a8r s GLN 149 Ca 0.67 -2.10 -0.02 0.00 -1.95 0.00 0.00 55.36 51.96 1a8r s GLN 149 Cb -0.32 -1.02 0.05 0.00 -0.22 0.00 0.00 33.01 31.50 1a8r s GLN 149 CO 0.27 -0.28 0.02 0.08 -0.25 0.00 0.00 175.29 175.13 1a8r s VAL 150 N -3.11 0.51 0.33 1.09 1.01 -1.26 -0.95 120.40 118.01 1a8r s VAL 150 Ca 0.27 -0.37 0.12 0.00 0.00 0.00 0.00 61.98 62.01 1a8r s VAL 150 Cb 0.06 -0.90 0.33 0.00 0.00 0.00 0.00 36.38 35.86 1a8r s VAL 150 CO 0.13 -0.06 1.66 -0.61 0.00 0.00 0.00 175.10 176.23 1a8r h GLN 151 N 8.26 0.31 -0.51 2.72 4.15 -1.99 0.18 115.11 128.24 1a8r h GLN 151 Ca -0.18 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.19 1a8r h GLN 151 Cb 1.12 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 1a8r h GLN 151 CO 0.32 0.21 0.16 0.93 -1.93 0.00 0.00 178.83 178.51 1a8r h GLU 152 N 0.32 0.75 0.00 1.69 3.07 -1.99 -1.47 114.58 116.96 1a8r h GLU 152 Ca 0.70 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 59.36 1a8r h GLU 152 Cb 1.57 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 29.36 1a8r h GLU 152 CO -0.61 0.66 -0.30 -0.09 -1.40 0.00 0.00 179.01 177.27 1a8r h ARG 153 N 0.74 0.20 -0.50 2.33 2.43 -1.15 -3.19 114.38 115.23 1a8r h ARG 153 Ca 0.17 -0.21 0.10 0.00 -0.81 0.00 0.00 59.98 59.22 1a8r h ARG 153 Cb 0.22 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.73 1a8r h ARG 153 CO -0.01 0.95 -0.26 1.25 -1.51 0.00 0.00 179.97 180.40 1a8r h LEU 154 N -0.47 -0.88 -1.08 3.80 5.85 -0.83 0.44 115.31 122.14 1a8r h LEU 154 Ca -0.04 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1a8r h LEU 154 Cb 1.06 0.46 -0.07 0.00 0.37 0.00 0.00 40.66 42.48 1a8r h LEU 154 CO 0.06 -0.27 0.62 0.74 -0.34 0.00 0.00 178.44 179.25 1a8r h THR 155 N -0.14 1.05 -0.00 1.05 2.02 -1.38 -1.67 112.91 113.83 1a8r h THR 155 Ca 0.22 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1a8r h THR 155 Cb 0.50 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1a8r h THR 155 CO -0.58 0.20 -0.00 1.56 0.37 0.00 0.00 175.52 177.06 1a8r h GLN 156 N 1.07 0.00 -0.23 6.66 1.08 -1.14 -2.73 115.11 119.83 1a8r h GLN 156 Ca 0.43 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.68 1a8r h GLN 156 Cb 0.25 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.62 1a8r h GLN 156 CO -0.18 0.33 -0.14 1.96 -0.95 0.00 0.00 178.83 179.85 1a8r h GLN 157 N -0.33 -0.12 -0.62 1.46 4.20 -0.59 -1.09 115.11 118.03 1a8r h GLN 157 Ca 0.00 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.75 1a8r h GLN 157 Cb 0.33 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1a8r h GLN 157 CO 0.00 -0.08 0.37 0.82 -0.67 0.00 0.00 178.83 179.27 1a8r h ILE 158 N -0.13 1.05 0.08 2.54 2.04 -1.36 -0.47 117.51 121.27 1a8r h ILE 158 Ca 0.13 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1a8r h ILE 158 Cb 0.32 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1a8r h ILE 158 CO -0.31 0.13 -0.11 0.25 0.00 0.00 0.00 178.15 178.12 1a8r h LEU 159 N 0.72 -0.29 0.06 1.44 5.85 -1.08 -1.33 115.31 120.68 1a8r h LEU 159 Ca 0.25 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1a8r h LEU 159 Cb 0.05 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1a8r h LEU 159 CO -0.12 -0.16 -0.04 0.40 -0.34 0.00 0.00 178.44 178.18 1a8r h ILE 160 N -0.22 0.92 -0.35 4.05 1.08 -0.89 -0.55 117.51 121.54 1a8r h ILE 160 Ca 0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.56 1a8r h ILE 160 Cb 0.23 0.92 -0.08 0.00 -3.07 0.00 0.00 36.82 34.82 1a8r h ILE 160 CO -0.05 0.00 -0.19 0.00 -0.69 0.00 0.00 178.15 177.23 1a8r h ALA 161 N 0.84 0.07 -0.42 1.87 0.00 -0.97 -0.48 119.26 120.17 1a8r h ALA 161 Ca -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1a8r h ALA 161 Cb 0.08 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1a8r h ALA 161 CO 0.01 -0.56 0.17 -0.07 0.00 0.00 0.00 179.25 178.79 1a8r h LEU 162 N -0.13 0.58 -0.71 0.00 3.38 -1.02 -0.58 115.31 116.83 1a8r h LEU 162 Ca 0.18 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1a8r h LEU 162 Cb 0.40 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1a8r h LEU 162 CO -0.44 0.58 0.43 1.56 0.09 0.00 0.00 178.44 180.67 1a8r h GLN 163 N 0.53 0.79 0.67 1.13 4.20 -0.41 0.27 115.11 122.30 1a8r h GLN 163 Ca 0.14 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1a8r h GLN 163 Cb 0.18 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1a8r h GLN 163 CO -0.01 0.52 -0.45 1.15 -0.67 0.00 0.00 178.83 179.36 1a8r h THR 164 N 0.81 0.09 -0.80 -0.54 2.02 -0.75 0.35 112.91 114.09 1a8r h THR 164 Ca 0.30 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.51 1a8r h THR 164 Cb 0.10 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.55 1a8r h THR 164 CO -0.14 0.00 0.51 -0.07 0.37 0.00 0.00 175.52 176.19 1a8r h LEU 165 N -1.08 0.86 -0.02 2.58 3.38 -0.75 -2.51 115.31 117.76 1a8r h LEU 165 Ca -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1a8r h LEU 165 Cb 0.88 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1a8r h LEU 165 CO 0.06 0.59 -0.20 0.18 0.09 0.00 0.00 178.44 179.17 1a8r n LEU 166 N -4.58 0.23 -3.65 1.67 4.77 0.92 -4.95 117.00 111.42 1a8r n LEU 166 Ca 0.09 0.26 -0.24 0.00 -0.03 0.00 0.00 56.01 56.10 1a8r n LEU 166 Cb 0.08 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1a8r n LEU 166 CO 0.34 0.06 0.17 0.61 -1.33 0.00 0.00 177.39 177.24 1a8r n GLY 167 N 1.48 -0.49 3.42 -0.72 0.00 0.12 -4.76 105.19 104.24 1a8r n GLY 167 Ca 0.07 0.21 -0.16 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 -3.35 0.02 -0.54 2.61 2.01 -0.97 -4.91 115.64 110.51 1a8r s THR 168 Ca 0.47 -0.16 0.23 0.00 0.31 0.00 0.00 61.69 62.53 1a8r s THR 168 Cb -0.21 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.35 1a8r s THR 168 CO 0.76 -0.09 1.05 0.59 -0.69 0.00 0.00 174.62 176.23 1a8r n ASN 169 N 1.08 0.62 -4.06 3.53 3.02 -1.26 -4.29 115.26 113.91 1a8r n ASN 169 Ca -0.20 -0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 53.90 1a8r n ASN 169 Cb 0.57 0.72 -0.05 0.00 -0.61 0.00 0.00 39.78 40.40 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 -2.09 2.92 -3.98 6.41 3.02 -1.26 -1.75 115.26 118.52 1a8r n ASN 170 Ca 0.02 -2.71 -0.11 0.00 -0.03 0.00 0.00 54.58 51.75 1a8r n ASN 170 Cb 0.46 -1.42 -0.12 0.00 -0.61 0.00 0.00 39.78 38.09 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 7.32 0.22 -0.02 2.41 1.01 -1.25 -1.53 120.40 128.56 1a8r s VAL 171 Ca 0.61 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1a8r s VAL 171 Cb 0.08 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.16 1a8r s VAL 171 CO 0.12 -0.35 0.04 0.00 0.00 0.00 0.00 175.10 174.90 1a8r s ALA 172 N -1.11 -0.04 -0.03 5.51 0.00 -0.23 -0.27 121.76 125.58 1a8r s ALA 172 Ca -0.11 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1a8r s ALA 172 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1a8r s ALA 172 CO -0.00 -0.05 -0.10 0.08 0.00 0.00 0.00 175.76 175.69 1a8r s VAL 173 N 0.38 0.88 -0.02 0.00 1.01 -0.26 -1.69 120.40 120.70 1a8r s VAL 173 Ca -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1a8r s VAL 173 Cb -0.04 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1a8r s VAL 173 CO -0.01 0.28 -0.04 -0.55 0.00 0.00 0.00 175.10 174.77 1a8r s SER 174 N 0.27 0.62 -0.03 3.32 0.15 -0.50 -0.02 113.70 117.51 1a8r s SER 174 Ca -0.05 -0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1a8r s SER 174 Cb -0.10 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1a8r s SER 174 CO 0.01 0.01 -0.09 -0.63 1.20 0.00 0.00 173.24 173.75 1a8r s ILE 175 N 0.25 0.76 -0.12 6.45 1.01 0.09 -0.63 121.20 129.01 1a8r s ILE 175 Ca -0.03 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1a8r s ILE 175 Cb -0.06 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.75 1a8r s ILE 175 CO -0.00 0.24 -0.18 -0.62 0.00 0.00 0.00 174.94 174.38 1a8r s ASP 176 N 0.21 2.71 0.09 3.58 -1.08 -0.49 -1.14 116.67 120.55 1a8r s ASP 176 Ca -0.03 -0.50 -0.08 0.00 -0.52 0.00 0.00 52.55 51.42 1a8r s ASP 176 Cb -0.08 -1.23 -0.01 0.00 -1.46 0.00 0.00 42.92 40.14 1a8r s ASP 176 CO 0.00 0.04 0.18 0.00 0.52 0.00 0.00 175.17 175.91 1a8r s ALA 177 N 0.95 -0.15 -0.17 3.66 0.00 -0.03 -0.80 121.76 125.23 1a8r s ALA 177 Ca -0.06 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1a8r s ALA 177 Cb -0.15 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1a8r s ALA 177 CO -0.02 -0.51 -0.11 0.08 0.00 0.00 0.00 175.76 175.20 1a8r s VAL 178 N -3.88 3.07 -0.24 0.00 1.01 0.04 -0.68 120.40 119.73 1a8r s VAL 178 Ca 0.06 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1a8r s VAL 178 Cb 0.05 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1a8r s VAL 178 CO -0.10 0.49 0.12 -1.00 0.00 0.00 0.00 175.10 174.61 1a8r s HIS 179 N 0.82 3.21 -1.17 5.22 3.76 -1.26 -0.45 115.29 125.42 1a8r s HIS 179 Ca -0.04 -0.02 0.22 0.00 -0.15 0.00 0.00 55.06 55.07 1a8r s HIS 179 Cb -0.15 -2.25 0.99 0.00 1.11 0.00 0.00 32.58 32.28 1a8r s HIS 179 CO 0.01 -0.09 1.69 0.66 -0.85 0.00 0.00 174.74 176.16 1a8r n TYR 180 N 4.51 0.00 0.42 1.40 4.01 -0.29 -1.83 117.16 125.38 1a8r n TYR 180 Ca -0.15 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.71 1a8r n TYR 180 Cb 0.52 -0.41 0.33 0.00 -0.31 0.00 0.00 39.34 39.47 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 -2.66 1.53 -0.04 0.00 0.31 -0.94 -4.24 118.33 112.28 1a8r n VAL 182 Ca 0.04 -0.48 -0.15 0.00 -0.01 0.00 0.00 64.34 63.75 1a8r n VAL 182 Cb 0.45 -1.65 -0.12 0.00 -0.91 0.00 0.00 33.84 31.60 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 -0.42 0.06 -0.66 5.55 3.64 -1.38 -1.07 116.57 122.30 1a8r h LYS 183 Ca -0.60 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1a8r h LYS 183 Cb 1.77 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 1a8r h LYS 183 CO -0.20 0.92 0.00 0.00 -2.27 0.00 0.00 179.45 177.90 1a8r n ALA 184 N -2.56 3.17 -3.81 5.00 0.00 -0.01 -3.95 120.51 118.35 1a8r n ALA 184 Ca -0.10 -1.59 -0.05 0.00 0.00 0.00 0.00 53.44 51.70 1a8r n ALA 184 Cb 0.48 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.92 1.56 4.27 0.00 3.52 -1.23 -4.97 118.95 120.18 1a8r s ARG 185 Ca 0.51 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 1a8r s ARG 185 Cb 0.33 0.50 0.00 0.00 -1.56 0.00 0.00 34.95 34.22 1a8r s ARG 185 CO 0.24 -0.72 0.00 0.41 -0.81 0.00 0.00 175.30 174.42 1a8r n GLY 186 N -0.51 2.13 0.27 8.12 0.00 -1.26 0.31 105.19 114.24 1a8r n GLY 186 Ca -0.05 0.40 0.17 0.00 0.00 0.00 0.00 46.02 46.54 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 -6.46 -0.61 6.09 -1.84 -3.47 117.51 111.23 1a8r h ILE 187 Ca 0.00 -0.42 -0.49 0.00 -1.37 0.00 0.00 64.86 62.57 1a8r h ILE 187 Cb 0.00 1.39 -0.04 0.00 0.47 0.00 0.00 36.82 38.65 1a8r h ILE 187 CO 0.00 0.00 -0.89 0.54 -3.07 0.00 0.00 178.15 174.73 1a8r n ARG 188 N -3.00 -3.18 -2.76 2.19 1.74 0.15 -4.90 116.66 106.90 1a8r n ARG 188 Ca 0.00 0.42 -0.42 0.00 -0.77 0.00 0.00 57.85 57.07 1a8r n ARG 188 Cb 0.27 -4.51 -0.04 0.00 -1.02 0.00 0.00 32.46 27.17 1a8r n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a8r s ASP 189 N -4.30 6.27 0.44 0.55 -1.08 -0.52 -4.90 116.67 113.14 1a8r s ASP 189 Ca 0.04 -0.50 0.30 0.00 -0.52 0.00 0.00 52.55 51.87 1a8r s ASP 189 Cb -0.02 -2.47 1.17 0.00 -1.46 0.00 0.00 42.92 40.14 1a8r s ASP 189 CO 0.88 -1.44 1.87 0.00 0.52 0.00 0.00 175.17 177.00 1a8r h ALA 190 N 9.55 1.00 0.00 3.66 0.00 -1.87 -3.35 119.26 128.25 1a8r h ALA 190 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1a8r h ALA 190 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1a8r h ALA 190 CO 1.16 0.00 -1.58 0.25 0.00 0.00 0.00 179.25 179.09 1a8r n THR 191 N -2.79 0.00 -2.36 0.00 -2.24 -1.26 -5.05 114.28 100.58 1a8r n THR 191 Ca 0.01 -0.33 -0.33 0.00 -2.27 0.00 0.00 64.05 61.14 1a8r n THR 191 Cb 0.30 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 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 -3.64 6.35 0.02 3.42 1.04 -1.26 -5.09 113.70 114.55 1a8r s SER 192 Ca -0.04 1.72 -0.08 0.00 0.48 0.00 0.00 55.95 58.04 1a8r s SER 192 Cb 0.11 -2.53 -0.00 0.00 0.10 0.00 0.00 66.02 63.70 1a8r s SER 192 CO 0.67 -0.78 0.15 0.00 0.98 0.00 0.00 173.24 174.26 1a8r s ALA 193 N -2.41 -0.27 -0.12 5.32 0.00 -1.26 -4.80 121.76 118.22 1a8r s ALA 193 Ca 0.62 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 1a8r s ALA 193 Cb -0.13 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1a8r s ALA 193 CO 0.29 -0.29 -0.07 0.99 0.00 0.00 0.00 175.76 176.68 1a8r s THR 194 N -2.13 3.62 -0.19 0.00 2.01 0.15 -4.92 115.64 114.17 1a8r s THR 194 Ca -0.09 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1a8r s THR 194 Cb -0.04 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1a8r s THR 194 CO -0.02 0.53 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.42 1a8r s THR 195 N -0.00 2.61 0.08 -0.82 2.01 -1.26 -0.85 115.64 117.41 1a8r s THR 195 Ca -0.01 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.33 1a8r s THR 195 Cb -0.14 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1a8r s THR 195 CO 0.03 0.49 -0.24 0.42 -0.69 0.00 0.00 174.62 174.64 1a8r s THR 196 N 1.34 1.93 0.05 -0.82 -4.23 -0.29 -4.98 115.64 108.65 1a8r s THR 196 Ca 0.05 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1a8r s THR 196 Cb -0.14 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 1a8r s THR 196 CO -0.09 0.13 -0.06 0.42 -0.54 0.00 0.00 174.62 174.49 1a8r s THR 197 N -0.98 0.41 -0.24 3.99 -4.23 -1.26 -0.73 115.64 112.61 1a8r s THR 197 Ca 0.10 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.27 1a8r s THR 197 Cb -0.10 -0.86 0.08 0.00 1.34 0.00 0.00 72.50 72.96 1a8r s THR 197 CO 0.04 -0.60 0.08 -0.44 -0.54 0.00 0.00 174.62 173.16 1a8r s SER 198 N -2.03 3.18 -0.18 3.99 0.01 0.97 -4.95 113.70 114.69 1a8r s SER 198 Ca -0.05 -1.06 -0.08 0.00 1.31 0.00 0.00 55.95 56.07 1a8r s SER 198 Cb -0.04 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 1a8r s SER 198 CO -0.03 -0.37 0.10 -0.76 0.41 0.00 0.00 173.24 172.59 1a8r s LEU 199 N 1.92 4.04 0.28 2.44 1.43 -1.26 -1.10 118.68 126.42 1a8r s LEU 199 Ca 0.04 0.20 0.12 0.00 -1.03 0.00 0.00 54.13 53.46 1a8r s LEU 199 Cb -0.17 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1a8r s LEU 199 CO -0.18 0.22 -0.20 -0.83 0.23 0.00 0.00 176.35 175.59 1a8r s GLY 200 N 0.11 1.87 0.00 -3.19 0.00 0.63 -4.49 107.32 102.26 1a8r s GLY 200 Ca 0.07 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.92 1a8r s GLY 200 CO -0.00 -1.96 0.00 0.61 0.00 0.00 0.00 173.10 171.75 1a8r n GLY 201 N -0.60 2.83 0.37 0.20 0.00 -0.72 -0.91 105.19 106.37 1a8r n GLY 201 Ca -0.05 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.51 0.99 3.38 -1.94 0.22 115.31 116.45 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 0.00 -0.24 -0.26 0.09 0.00 0.00 178.44 178.03 1a8r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.28 0.21 116.94 117.05 1a8r h PHE 203 Ca 0.21 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.70 1a8r h PHE 203 Cb 0.92 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.03 1a8r h PHE 203 CO 0.00 0.24 -1.65 1.17 -0.60 0.00 0.00 178.31 177.46 1a8r n LYS 204 N -3.77 0.56 0.39 1.51 3.00 0.13 -4.11 118.16 115.88 1a8r n LYS 204 Ca -0.01 0.44 -0.15 0.00 -0.00 0.00 0.00 58.31 58.59 1a8r n LYS 204 Cb 0.34 -1.64 -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 -0.85 -3.32 3.14 0.02 -0.63 -3.43 113.55 107.47 1a8r h SER 205 Ca -0.43 0.03 -0.59 0.00 -0.84 0.00 0.00 61.79 59.96 1a8r h SER 205 Cb 1.34 0.22 -0.08 0.00 0.14 0.00 0.00 62.40 64.02 1a8r h SER 205 CO -0.26 -0.60 0.37 -0.55 -1.14 0.00 0.00 176.83 174.64 1a8r s SER 206 N -3.53 6.84 0.33 3.07 0.15 0.74 -4.94 113.70 116.37 1a8r s SER 206 Ca -0.15 1.04 0.12 0.00 0.70 0.00 0.00 55.95 57.66 1a8r s SER 206 Cb 0.01 -2.42 0.56 0.00 -1.71 0.00 0.00 66.02 62.46 1a8r s SER 206 CO 0.44 -0.42 1.72 -0.61 1.20 0.00 0.00 173.24 175.57 1a8r h GLN 207 N 7.53 0.00 0.52 5.44 4.15 -1.84 0.03 115.11 130.93 1a8r h GLN 207 Ca -0.27 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.12 1a8r h GLN 207 Cb 1.12 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.81 1a8r h GLN 207 CO 0.84 0.49 -0.25 -0.97 -1.93 0.00 0.00 178.83 177.00 1a8r h ASN 208 N 0.00 -0.60 -0.10 -0.69 -1.24 -1.92 -0.70 115.58 110.34 1a8r h ASN 208 Ca -0.00 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 1a8r h ASN 208 Cb 0.87 0.15 -0.00 0.00 0.73 0.00 0.00 38.32 40.07 1a8r h ASN 208 CO 0.06 -0.42 0.03 0.74 -1.29 0.00 0.00 177.43 176.55 1a8r h THR 209 N -0.71 1.18 -0.35 -3.57 2.02 -1.79 -2.69 112.91 107.00 1a8r h THR 209 Ca -0.07 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.64 1a8r h THR 209 Cb 0.54 1.36 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 1a8r h THR 209 CO 0.12 0.16 -0.13 -0.09 0.37 0.00 0.00 175.52 175.95 1a8r h ARG 210 N -0.04 -0.06 0.00 6.66 2.43 -0.93 -1.80 114.38 120.64 1a8r h ARG 210 Ca 0.03 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1a8r h ARG 210 Cb 0.22 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1a8r h ARG 210 CO -0.00 -0.04 -0.24 0.45 -1.51 0.00 0.00 179.97 178.63 1a8r h HIS 211 N -0.06 0.00 -0.31 2.20 3.86 -1.14 -0.54 115.15 119.17 1a8r h HIS 211 Ca 0.17 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 1a8r h HIS 211 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1a8r h HIS 211 CO -0.36 0.24 -0.09 0.93 0.86 0.00 0.00 177.93 179.52 1a8r h GLU 212 N 0.00 0.61 0.03 2.45 5.08 -1.04 0.11 114.58 121.81 1a8r h GLU 212 Ca -0.00 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1a8r h GLU 212 Cb 0.85 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1a8r h GLU 212 CO 0.03 0.80 -0.01 0.35 -1.00 0.00 0.00 179.01 179.18 1a8r h PHE 213 N 0.38 -0.03 -0.73 4.33 3.57 -1.16 -2.20 116.94 121.09 1a8r h PHE 213 Ca 0.08 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1a8r h PHE 213 Cb 0.59 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1a8r h PHE 213 CO 0.05 0.29 0.44 -0.07 -2.23 0.00 0.00 178.31 176.79 1a8r h LEU 214 N -0.36 0.69 -1.05 0.59 3.38 -1.00 -1.38 115.31 116.18 1a8r h LEU 214 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1a8r h LEU 214 Cb 0.34 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1a8r h LEU 214 CO 0.01 0.46 0.44 -0.09 0.09 0.00 0.00 178.44 179.34 1a8r h ARG 215 N 0.82 1.10 -0.54 1.13 2.43 -0.78 -2.50 114.38 116.04 1a8r h ARG 215 Ca 0.31 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1a8r h ARG 215 Cb 0.12 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1a8r h ARG 215 CO -0.15 0.80 0.15 0.00 -1.51 0.00 0.00 179.97 179.26 1a8r h ALA 216 N 1.37 1.25 -2.44 2.80 0.00 -0.61 -3.45 119.26 118.18 1a8r h ALA 216 Ca 0.28 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 54.43 1a8r h ALA 216 Cb 0.02 -0.22 0.08 0.00 0.00 0.00 0.00 17.79 17.67 1a8r h ALA 216 CO -0.05 0.53 0.68 0.28 0.00 0.00 0.00 179.25 180.69 1a8r n VAL 217 N -4.29 1.00 -2.39 0.00 0.31 -0.82 -4.31 118.33 107.83 1a8r n VAL 217 Ca 0.04 -0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 64.11 1a8r n VAL 217 Cb 0.21 -1.60 -0.01 0.00 -0.91 0.00 0.00 33.84 31.53 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 2.02 -2.73 -3.82 5.55 3.00 -1.26 -5.04 116.66 114.37 1a8r n ARG 218 Ca 0.11 2.29 -0.30 0.00 -0.00 0.00 0.00 57.85 59.95 1a8r n ARG 218 Cb 0.33 -4.23 -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 -1.11 2.05 -0.34 -0.14 3.76 -1.26 -5.09 115.29 113.17 1a8r s HIS 219 Ca -0.03 -1.79 -0.35 0.00 -0.15 0.00 0.00 55.06 52.74 1a8r s HIS 219 Cb 0.00 -1.75 -0.11 0.00 1.11 0.00 0.00 32.58 31.83 1a8r s HIS 219 CO 0.59 -0.82 2.18 0.72 -0.85 0.00 0.00 174.74 176.55 1a8r n HIS 220 N 4.75 1.62 -0.18 1.40 8.25 -1.26 -5.03 115.22 124.78 1a8r n HIS 220 Ca -0.05 0.27 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 29.01 1a8r n HIS 220 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07