#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 -4.77 3.54 2.88 -1.26 -5.15 113.62 108.85 1a8r n SER 2 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1a8r n SER 2 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1a8r n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a8r s LEU 3 N 0.00 3.48 0.82 2.46 1.43 -1.26 -5.02 118.68 120.58 1a8r s LEU 3 Ca 0.00 2.03 -0.12 0.00 -1.03 0.00 0.00 54.13 55.02 1a8r s LEU 3 Cb 0.00 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.74 1a8r s LEU 3 CO 0.00 -1.51 1.12 -0.94 0.23 0.00 0.00 176.35 175.25 1a8r s SER 4 N -2.40 4.38 0.21 2.29 1.04 -1.26 -4.85 113.70 113.11 1a8r s SER 4 Ca 0.68 1.10 -0.09 0.00 0.48 0.00 0.00 55.95 58.12 1a8r s SER 4 Cb -0.21 -1.77 0.23 0.00 0.10 0.00 0.00 66.02 64.37 1a8r s SER 4 CO 0.38 -2.02 1.83 0.11 0.98 0.00 0.00 173.24 174.52 1a8r h LYS 5 N -1.13 0.77 -0.16 4.02 1.57 -1.99 -1.63 116.57 118.02 1a8r h LYS 5 Ca -0.47 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 1a8r h LYS 5 Cb 1.29 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1a8r h LYS 5 CO 0.62 0.51 0.04 0.93 -0.57 0.00 0.00 179.45 180.98 1a8r h GLU 6 N 0.79 0.25 -0.58 3.15 3.07 -1.97 -0.61 114.58 118.68 1a8r h GLU 6 Ca 0.30 -0.06 0.06 0.00 -0.50 0.00 0.00 59.36 59.15 1a8r h GLU 6 Cb 0.11 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.93 1a8r h GLU 6 CO -0.15 0.40 0.30 0.00 -1.40 0.00 0.00 179.01 178.16 1a8r h ALA 7 N 0.84 0.76 0.51 3.43 0.00 -1.85 0.89 119.26 123.84 1a8r h ALA 7 Ca 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1a8r h ALA 7 Cb 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1a8r h ALA 7 CO 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 179.25 178.91 1a8r h ALA 8 N 1.32 -0.75 -0.45 0.00 0.00 -1.13 -0.04 119.26 118.22 1a8r h ALA 8 Ca 0.26 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1a8r h ALA 8 Cb 0.18 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1a8r h ALA 8 CO -0.18 -0.93 0.14 -0.07 0.00 0.00 0.00 179.25 178.21 1a8r h LEU 9 N -0.75 0.13 0.32 0.00 3.38 -0.71 -0.19 115.31 117.49 1a8r h LEU 9 Ca -0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1a8r h LEU 9 Cb 0.60 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1a8r h LEU 9 CO 0.08 0.11 -0.15 0.58 0.09 0.00 0.00 178.44 179.14 1a8r h VAL 10 N 0.30 0.69 -0.66 1.22 2.07 -0.70 0.11 116.25 119.27 1a8r h VAL 10 Ca 0.21 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.81 1a8r h VAL 10 Cb 0.22 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1a8r h VAL 10 CO -0.23 0.00 0.31 -0.74 0.02 0.00 0.00 177.57 176.94 1a8r h HIS 11 N -0.43 0.56 0.06 1.57 -0.00 -0.76 0.58 115.15 116.72 1a8r h HIS 11 Ca -0.04 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1a8r h HIS 11 Cb 0.33 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1a8r h HIS 11 CO -0.05 0.20 -0.03 0.93 -0.00 0.00 0.00 177.93 178.98 1a8r h GLU 12 N 0.55 -0.08 -0.69 5.26 5.08 -0.79 -1.16 114.58 122.75 1a8r h GLU 12 Ca 0.32 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.78 1a8r h GLU 12 Cb 0.34 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1a8r h GLU 12 CO -0.26 -0.00 0.34 0.00 -1.00 0.00 0.00 179.01 178.08 1a8r h ALA 13 N 0.80 0.94 -0.06 3.43 0.00 -0.02 0.20 119.26 124.56 1a8r h ALA 13 Ca -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1a8r h ALA 13 Cb 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1a8r h ALA 13 CO 0.01 -0.06 -0.00 -0.07 0.00 0.00 0.00 179.25 179.14 1a8r h LEU 14 N 0.58 0.10 -0.63 0.00 3.38 -0.73 -2.23 115.31 115.78 1a8r h LEU 14 Ca 0.34 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1a8r h LEU 14 Cb 0.35 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1a8r h LEU 14 CO -0.26 0.38 0.30 0.58 0.09 0.00 0.00 178.44 179.53 1a8r h VAL 15 N -0.19 0.87 -0.50 1.22 2.07 -0.81 -0.04 116.25 118.86 1a8r h VAL 15 Ca 0.02 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.43 1a8r h VAL 15 Cb 0.34 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1a8r h VAL 15 CO 0.00 0.10 0.11 0.00 0.02 0.00 0.00 177.57 177.81 1a8r h ALA 16 N 1.37 0.57 -0.01 1.67 0.00 -0.83 0.45 119.26 122.48 1a8r h ALA 16 Ca 0.30 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1a8r h ALA 16 Cb 0.28 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a8r h ALA 16 CO -0.24 -0.29 0.00 0.54 0.00 0.00 0.00 179.25 179.26 1a8r n ARG 17 N -5.09 1.14 -2.19 0.00 3.00 -0.68 -4.88 116.66 107.95 1a8r n ARG 17 Ca 0.06 -0.20 -0.13 0.00 -0.01 0.00 0.00 57.85 57.56 1a8r n ARG 17 Cb 0.24 -1.42 -0.01 0.00 0.00 0.00 0.00 32.46 31.27 1a8r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a8r n GLY 18 N 0.97 -0.07 0.86 -0.13 0.00 0.15 -4.93 105.19 102.05 1a8r n GLY 18 Ca 0.20 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.84 2.80 -4.76 0.99 4.77 -0.16 -5.00 117.00 113.80 1a8r n LEU 19 Ca -0.15 -0.99 -0.37 0.00 -0.03 0.00 0.00 56.01 54.47 1a8r n LEU 19 Cb 0.60 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.71 1a8r n LEU 19 CO 0.18 0.47 0.89 -1.61 -1.33 0.00 0.00 177.39 175.99 1a8r s GLU 20 N -1.87 3.39 0.30 3.23 0.41 -1.24 -4.83 118.70 118.09 1a8r s GLU 20 Ca 0.25 1.94 -0.29 0.00 -0.41 0.00 0.00 54.97 56.47 1a8r s GLU 20 Cb 0.18 -2.26 -0.10 0.00 -1.78 0.00 0.00 34.13 30.17 1a8r s GLU 20 CO 0.29 -0.90 1.32 0.99 -0.49 0.00 0.00 175.26 176.47 1a8r s THR 21 N -1.47 2.79 -0.81 3.63 2.01 -1.26 -4.80 115.64 115.73 1a8r s THR 21 Ca 0.69 0.75 -0.19 0.00 0.31 0.00 0.00 61.69 63.25 1a8r s THR 21 Cb -0.33 -3.48 -0.19 0.00 0.01 0.00 0.00 72.50 68.51 1a8r s THR 21 CO 0.39 0.16 2.12 -2.65 -0.69 0.00 0.00 174.62 173.95 1a8r n PRO 22 N 1.27 0.26 -4.86 4.92 -0.02 -1.26 -4.87 135.00 130.44 1a8r n PRO 22 Ca 0.02 -0.70 -0.25 0.00 -2.02 0.00 0.00 63.50 60.54 1a8r n PRO 22 Cb 0.42 -2.74 -0.15 0.00 -0.02 0.00 0.00 33.50 31.01 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 9.81 2.03 0.02 2.45 2.96 -1.26 -5.14 118.68 129.55 1a8r s LEU 23 Ca 0.90 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 54.37 1a8r s LEU 23 Cb -0.29 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 1a8r s LEU 23 CO 0.22 0.22 0.36 -0.13 -1.32 0.00 0.00 176.35 175.70 1a8r s ARG 24 N -0.40 3.77 0.66 1.98 0.52 -1.26 -5.07 118.95 119.15 1a8r s ARG 24 Ca 0.07 0.21 -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 32.27 1a8r s ARG 24 CO -0.01 0.65 1.14 -2.30 0.02 0.00 0.00 175.30 174.80 1a8r n PRO 25 N 1.40 0.88 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.26 1a8r n PRO 25 Ca -0.12 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.51 1a8r n PRO 25 Cb 0.53 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 1a8r n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a8r n PRO 26 N -1.76 0.36 -0.18 0.52 -0.02 -1.26 -4.77 135.00 127.90 1a8r n PRO 26 Ca 0.15 -0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.20 1a8r n PRO 26 Cb 0.48 -2.55 0.19 0.00 -0.02 0.00 0.00 33.50 31.61 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 7.47 1.22 -2.87 -1.45 2.07 -2.04 -3.43 116.25 117.22 1a8r h VAL 27 Ca -0.01 -0.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.68 1a8r h VAL 27 Cb 1.10 0.45 -0.26 0.00 -1.52 0.00 0.00 31.29 31.06 1a8r h VAL 27 CO 1.27 0.28 -0.33 -1.00 0.02 0.00 0.00 177.57 177.80 1a8r s HIS 28 N -5.44 -0.41 -1.47 1.57 3.76 -1.26 -5.05 115.29 106.99 1a8r s HIS 28 Ca -0.10 0.97 -0.10 0.00 -0.15 0.00 0.00 55.06 55.68 1a8r s HIS 28 Cb 0.16 0.14 0.03 0.00 1.11 0.00 0.00 32.58 34.02 1a8r s HIS 28 CO 0.80 -0.22 2.47 0.39 -0.85 0.00 0.00 174.74 177.33 1a8r n GLU 29 N 3.32 3.62 -3.34 1.40 1.02 -1.26 -4.92 120.64 120.47 1a8r n GLU 29 Ca -0.16 -2.77 -0.38 0.00 -0.02 0.00 0.00 57.16 53.83 1a8r n GLU 29 Cb 0.57 -2.93 -0.06 0.00 -0.02 0.00 0.00 31.44 29.00 1a8r n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1a8r s MET 30 N 1.55 4.23 0.32 3.49 1.75 -1.26 -5.03 119.30 124.35 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 -0.06 0.35 1.53 -3.47 -0.65 0.00 0.00 175.02 172.71 1a8r n ASP 31 N 2.97 3.71 -0.35 1.11 -0.08 -1.26 -4.88 116.55 117.76 1a8r n ASP 31 Ca -0.09 1.18 0.25 0.00 -1.51 0.00 0.00 54.79 54.62 1a8r n ASP 31 Cb 0.52 -1.59 0.52 0.00 2.34 0.00 0.00 41.12 42.90 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 4.02 0.45 -0.78 1.67 4.21 -2.00 -0.45 115.58 122.71 1a8r h ASN 32 Ca -0.48 0.13 0.09 0.00 1.21 0.00 0.00 56.30 57.25 1a8r h ASN 32 Cb 1.24 0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 38.45 1a8r h ASN 32 CO 0.73 -0.02 0.51 -0.33 -1.29 0.00 0.00 177.43 177.03 1a8r h GLU 33 N 0.34 0.71 -0.23 0.81 5.08 -1.99 0.28 114.58 119.58 1a8r h GLU 33 Ca 0.68 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.88 1a8r h GLU 33 Cb 1.74 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 1a8r h GLU 33 CO -0.42 0.47 -0.33 1.15 -1.00 0.00 0.00 179.01 178.88 1a8r h THR 34 N 0.73 1.32 -0.78 1.13 2.02 -1.44 -0.76 112.91 115.12 1a8r h THR 34 Ca 0.35 -1.53 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1a8r h THR 34 Cb 0.41 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1a8r h THR 34 CO -0.13 0.48 0.47 0.03 0.37 0.00 0.00 175.52 176.74 1a8r h ARG 35 N 0.32 1.07 -0.68 6.66 3.08 -1.10 0.08 114.38 123.81 1a8r h ARG 35 Ca 0.02 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1a8r h ARG 35 Cb 0.92 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 1a8r h ARG 35 CO 0.08 0.76 0.15 0.87 -1.07 0.00 0.00 179.97 180.75 1a8r h LYS 36 N 1.07 1.09 -0.37 0.04 1.57 -0.33 0.76 116.57 120.40 1a8r h LYS 36 Ca 0.28 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1a8r h LYS 36 Cb -0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1a8r h LYS 36 CO -0.05 0.97 -0.29 0.66 -0.57 0.00 0.00 179.45 180.17 1a8r h SER 37 N 1.03 0.83 -0.16 0.86 4.64 -0.60 0.64 113.55 120.79 1a8r h SER 37 Ca 0.21 -0.33 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1a8r h SER 37 Cb 0.38 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1a8r h SER 37 CO 0.00 1.07 0.01 -0.07 -0.87 0.00 0.00 176.83 176.97 1a8r h LEU 38 N 0.68 0.27 -0.59 5.97 3.38 -0.70 -0.96 115.31 123.36 1a8r h LEU 38 Ca 0.08 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1a8r h LEU 38 Cb 0.83 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1a8r h LEU 38 CO 0.07 0.49 0.24 0.40 0.09 0.00 0.00 178.44 179.73 1a8r h ILE 39 N 0.04 1.23 -0.83 1.22 2.04 -0.76 -1.62 117.51 118.82 1a8r h ILE 39 Ca 0.05 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.27 1a8r h ILE 39 Cb 0.34 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1a8r h ILE 39 CO 0.01 0.27 0.51 0.00 0.00 0.00 0.00 178.15 178.94 1a8r h ALA 40 N 1.09 1.13 -0.29 1.87 0.00 -0.71 0.28 119.26 122.63 1a8r h ALA 40 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1a8r h ALA 40 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1a8r h ALA 40 CO -0.02 0.26 0.19 0.78 0.00 0.00 0.00 179.25 180.47 1a8r h GLY 41 N 0.94 0.42 1.00 0.00 0.00 -0.56 0.99 103.07 105.86 1a8r h GLY 41 Ca 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1a8r h GLY 41 CO -0.17 0.15 0.37 0.45 0.00 0.00 0.00 176.54 177.35 1a8r h HIS 42 N 0.39 0.83 -0.39 5.60 -0.00 -0.38 -2.08 115.15 119.14 1a8r h HIS 42 Ca 0.11 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.47 1a8r h HIS 42 Cb -0.04 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.08 1a8r h HIS 42 CO -0.05 0.58 0.24 0.52 -0.00 0.00 0.00 177.93 179.21 1a8r h MET 43 N 0.85 0.52 -0.61 2.45 2.86 -0.38 -0.77 114.93 119.86 1a8r h MET 43 Ca 0.22 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.94 1a8r h MET 43 Cb -0.01 -0.11 -0.09 0.00 0.06 0.00 0.00 31.60 31.45 1a8r h MET 43 CO -0.04 0.38 0.13 1.15 1.06 0.00 0.00 176.91 179.59 1a8r h THR 44 N 0.51 0.62 0.12 2.22 2.02 -0.54 0.51 112.91 118.37 1a8r h THR 44 Ca 0.14 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1a8r h THR 44 Cb -0.01 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1a8r h THR 44 CO -0.03 0.05 -0.06 -0.33 0.37 0.00 0.00 175.52 175.52 1a8r h GLU 45 N 0.25 -0.15 -0.58 6.66 4.39 -0.84 -1.42 114.58 122.90 1a8r h GLU 45 Ca 0.32 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.12 1a8r h GLU 45 Cb 0.49 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 1a8r h GLU 45 CO -0.42 -0.09 0.22 0.82 -1.16 0.00 0.00 179.01 178.39 1a8r h ILE 46 N -0.17 0.81 -0.62 3.13 2.04 -0.21 0.60 117.51 123.09 1a8r h ILE 46 Ca -0.02 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1a8r h ILE 46 Cb 0.14 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1a8r h ILE 46 CO 0.03 0.08 0.20 0.24 0.00 0.00 0.00 178.15 178.70 1a8r h MET 47 N 0.42 0.93 -0.14 2.37 2.86 -0.75 -1.29 114.93 119.32 1a8r h MET 47 Ca 0.28 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1a8r h MET 47 Cb 0.32 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1a8r h MET 47 CO -0.27 0.79 -0.43 1.96 1.06 0.00 0.00 176.91 180.02 1a8r h GLN 48 N 0.90 0.33 0.00 1.72 4.20 -0.34 -1.00 115.11 120.92 1a8r h GLN 48 Ca 0.20 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1a8r h GLN 48 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1a8r h GLN 48 CO -0.01 0.70 0.00 -0.07 -0.67 0.00 0.00 178.83 178.78 1a8r h LEU 49 N 0.27 0.00 -1.58 1.46 3.38 0.11 -1.05 115.31 117.91 1a8r h LEU 49 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a8r h LEU 49 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1a8r h LEU 49 CO 0.07 0.00 -0.04 0.18 0.09 0.00 0.00 178.44 178.74 1a8r n LEU 50 N -2.82 2.48 -2.11 1.67 4.77 -0.59 -4.96 117.00 115.45 1a8r n LEU 50 Ca 0.01 -0.83 -0.19 0.00 -0.03 0.00 0.00 56.01 54.97 1a8r n LEU 50 Cb 0.27 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1a8r n LEU 50 CO 0.25 0.42 -0.24 0.59 -1.33 0.00 0.00 177.39 177.07 1a8r n ASN 51 N 0.90 -5.45 -4.75 -1.43 3.02 -0.40 -4.98 115.26 102.16 1a8r n ASN 51 Ca 0.15 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 1a8r n ASN 51 Cb 0.52 -4.51 -0.06 0.00 -0.61 0.00 0.00 39.78 35.12 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 -5.36 4.63 -0.88 3.41 1.43 -0.47 -4.97 118.68 116.46 1a8r s LEU 52 Ca 0.00 1.88 -0.23 0.00 -1.03 0.00 0.00 54.13 54.75 1a8r s LEU 52 Cb 0.00 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.73 1a8r s LEU 52 CO 0.00 0.15 1.27 -0.62 0.23 0.00 0.00 176.35 177.38 1a8r s ASP 53 N -1.07 6.39 0.00 2.29 2.15 -1.26 -4.60 116.67 120.57 1a8r s ASP 53 Ca 0.41 -1.26 0.05 0.00 0.43 0.00 0.00 52.55 52.17 1a8r s ASP 53 Cb -0.25 -2.51 0.22 0.00 -0.30 0.00 0.00 42.92 40.07 1a8r s ASP 53 CO 0.31 -1.49 1.05 0.18 -0.17 0.00 0.00 175.17 175.05 1a8r n LEU 54 N 8.34 0.00 0.15 -1.34 4.77 -1.26 -1.67 117.00 125.99 1a8r n LEU 54 Ca 0.18 0.38 0.02 0.00 -0.03 0.00 0.00 56.01 56.56 1a8r n LEU 54 Cb 0.49 -0.38 0.21 0.00 -2.33 0.00 0.00 43.42 41.41 1a8r n LEU 54 CO 0.64 -0.32 0.55 0.00 -1.33 0.00 0.00 177.39 176.93 1a8r h ALA 55 N 2.19 0.91 -2.83 -1.18 0.00 -1.94 -3.13 119.26 113.28 1a8r h ALA 55 Ca 0.00 -0.48 -0.53 0.00 0.00 0.00 0.00 54.91 53.90 1a8r h ALA 55 Cb 0.06 -0.08 0.08 0.00 0.00 0.00 0.00 17.79 17.85 1a8r h ALA 55 CO 0.00 0.66 0.82 0.34 0.00 0.00 0.00 179.25 181.06 1a8r s ASP 56 N -6.61 6.46 0.48 0.00 2.15 -0.67 -4.79 116.67 113.68 1a8r s ASP 56 Ca -0.00 2.89 0.18 0.00 0.43 0.00 0.00 52.55 56.05 1a8r s ASP 56 Cb 0.11 -2.64 1.18 0.00 -0.30 0.00 0.00 42.92 41.27 1a8r s ASP 56 CO 0.73 -0.83 2.00 -2.24 -0.17 0.00 0.00 175.17 174.66 1a8r h ASP 57 N 4.38 0.21 0.51 -0.34 3.04 -1.90 0.41 116.42 122.74 1a8r h ASP 57 Ca -0.48 0.01 -0.13 0.00 -3.24 0.00 0.00 57.03 53.18 1a8r h ASP 57 Cb 1.22 -0.04 -0.02 0.00 -1.04 0.00 0.00 39.33 39.46 1a8r h ASP 57 CO 0.75 0.12 -0.61 -1.28 -2.04 0.00 0.00 179.24 176.18 1a8r h SER 58 N 0.23 0.10 0.15 4.15 0.87 -1.95 -3.34 113.55 113.76 1a8r h SER 58 Ca 0.25 -0.06 -0.27 0.00 -1.23 0.00 0.00 61.79 60.47 1a8r h SER 58 Cb 0.67 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1a8r h SER 58 CO -0.05 0.69 -2.12 0.18 -0.53 0.00 0.00 176.83 175.00 1a8r n LEU 59 N -3.84 0.21 -0.36 2.23 4.77 -0.55 -4.63 117.00 114.83 1a8r n LEU 59 Ca -0.02 0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1a8r n LEU 59 Cb 0.61 0.32 0.02 0.00 -2.33 0.00 0.00 43.42 42.04 1a8r n LEU 59 CO 0.43 0.35 0.53 0.80 -1.33 0.00 0.00 177.39 178.17 1a8r n MET 60 N -2.72 -0.25 -0.04 3.23 1.56 0.03 -0.70 117.12 118.24 1a8r n MET 60 Ca -0.23 1.42 0.11 0.00 -0.27 0.00 0.00 57.70 58.73 1a8r n MET 60 Cb 1.00 -2.10 0.49 0.00 2.15 0.00 0.00 33.22 34.77 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 -5.33 1.47 0.03 2.12 -0.58 -1.26 -4.37 120.64 112.72 1a8r n GLU 61 Ca 0.08 -0.70 -0.10 0.00 -0.42 0.00 0.00 57.16 56.02 1a8r n GLU 61 Cb 0.35 -1.39 -0.04 0.00 -0.57 0.00 0.00 31.44 29.79 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 1.47 0.60 -0.94 2.62 2.02 -1.17 0.27 112.91 117.79 1a8r h THR 62 Ca 0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1a8r h THR 62 Cb 0.32 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 67.24 1a8r h THR 62 CO 0.00 0.00 0.56 -0.65 0.37 0.00 0.00 175.52 175.80 1a8r h PRO 63 N -0.23 0.82 -0.45 6.66 0.11 -1.76 0.24 132.00 137.38 1a8r h PRO 63 Ca 0.07 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.01 1a8r h PRO 63 Cb 0.33 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1a8r h PRO 63 CO -0.19 0.54 -0.19 1.25 -0.21 0.00 0.00 178.00 179.20 1a8r h HIS 64 N 0.84 1.07 -0.61 0.65 -0.00 -1.68 -1.56 115.15 113.85 1a8r h HIS 64 Ca 0.49 -0.26 -0.04 0.00 -0.00 0.00 0.00 60.37 60.56 1a8r h HIS 64 Cb 0.57 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.70 1a8r h HIS 64 CO -0.03 1.05 0.24 0.00 -0.00 0.00 0.00 177.93 179.19 1a8r h ARG 65 N 0.77 0.91 -0.35 5.26 3.08 0.87 -0.82 114.38 124.10 1a8r h ARG 65 Ca 0.10 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1a8r h ARG 65 Cb 0.76 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1a8r h ARG 65 CO 0.06 0.78 -0.31 0.82 -1.07 0.00 0.00 179.97 180.25 1a8r h ILE 66 N 0.85 1.28 -0.06 2.04 2.04 -0.55 -0.91 117.51 122.19 1a8r h ILE 66 Ca 0.20 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1a8r h ILE 66 Cb 0.20 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1a8r h ILE 66 CO -0.02 0.48 0.03 0.00 0.00 0.00 0.00 178.15 178.64 1a8r h ALA 67 N 1.01 0.08 -0.54 1.87 0.00 -1.07 -1.13 119.26 119.49 1a8r h ALA 67 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1a8r h ALA 67 Cb 0.84 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1a8r h ALA 67 CO 0.07 -0.35 0.25 -0.22 0.00 0.00 0.00 179.25 179.00 1a8r h LYS 68 N -0.02 0.75 -0.18 0.00 3.64 -1.06 -1.61 116.57 118.09 1a8r h LYS 68 Ca 0.02 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1a8r h LYS 68 Cb 0.13 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1a8r h LYS 68 CO -0.00 0.59 -0.03 1.98 -2.27 0.00 0.00 179.45 179.72 1a8r h MET 69 N 0.76 0.34 0.27 1.90 4.05 -0.89 0.47 114.93 121.82 1a8r h MET 69 Ca 0.19 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1a8r h MET 69 Cb 0.09 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1a8r h MET 69 CO -0.02 0.59 -0.13 1.88 0.23 0.00 0.00 176.91 179.45 1a8r h TYR 70 N 0.06 -0.33 0.20 1.39 0.05 -0.99 0.37 116.97 117.72 1a8r h TYR 70 Ca 0.05 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1a8r h TYR 70 Cb 0.46 0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1a8r h TYR 70 CO 0.05 -0.09 -0.10 0.28 -1.05 0.00 0.00 178.16 177.25 1a8r h VAL 71 N -0.53 0.64 0.00 -2.88 2.07 -1.38 -3.30 116.25 110.87 1a8r h VAL 71 Ca -0.04 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1a8r h VAL 71 Cb 0.39 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1a8r h VAL 71 CO 0.06 0.17 -0.71 0.44 0.02 0.00 0.00 177.57 177.55 1a8r h ASP 72 N -0.93 0.00 0.00 0.57 3.32 -1.06 -3.40 116.42 114.92 1a8r h ASP 72 Ca -0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1a8r h ASP 72 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1a8r h ASP 72 CO 0.05 0.01 0.00 -0.62 -1.72 0.00 0.00 179.24 176.95 1a8r n GLU 73 N -2.76 0.00 0.14 3.56 1.02 -0.25 -4.64 120.64 117.72 1a8r n GLU 73 Ca 0.01 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.24 1a8r n GLU 73 Cb 0.54 0.00 0.45 0.00 -0.02 0.00 0.00 31.44 32.40 1a8r n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1a8r n ILE 74 N 0.00 0.97 -0.58 -3.67 -5.35 -0.04 -1.59 119.36 109.10 1a8r n ILE 74 Ca 0.00 0.71 0.05 0.00 -0.27 0.00 0.00 62.75 63.24 1a8r n ILE 74 Cb 0.00 -1.71 0.07 0.00 -1.74 0.00 0.00 39.64 36.26 1a8r n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1a8r n PHE 75 N -2.09 0.00 0.31 4.28 3.72 -1.24 -2.57 117.46 119.86 1a8r n PHE 75 Ca -0.01 -0.73 0.19 0.00 -0.05 0.00 0.00 57.45 56.85 1a8r n PHE 75 Cb 0.14 -0.10 0.99 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 0.00 0.00 0.62 4.37 4.64 -1.31 -1.14 113.55 120.73 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 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1a8r h SER 76 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1a8r n GLY 77 N -1.21 -1.14 0.18 -0.77 0.00 -0.20 -2.36 105.19 99.69 1a8r n GLY 77 Ca -0.02 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 -8.61 0.99 3.38 -1.31 -3.42 115.31 106.34 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 0.31 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.86 1a8r h LEU 78 CO 0.00 0.39 -0.46 -0.62 0.09 0.00 0.00 178.44 177.85 1a8r s ASP 79 N -6.47 6.08 0.00 -0.43 2.15 -1.00 -4.94 116.67 112.06 1a8r s ASP 79 Ca -0.00 -0.65 0.06 0.00 0.43 0.00 0.00 52.55 52.39 1a8r s ASP 79 Cb 0.11 -2.15 0.33 0.00 -0.30 0.00 0.00 42.92 40.91 1a8r s ASP 79 CO 0.69 -0.34 0.91 -1.22 -0.17 0.00 0.00 175.17 175.04 1a8r n TYR 80 N 5.13 0.00 0.55 -5.34 4.02 -1.26 -0.89 117.16 119.36 1a8r n TYR 80 Ca -0.12 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.89 1a8r n TYR 80 Cb 0.48 -0.12 0.45 0.00 -0.02 0.00 0.00 39.34 40.14 1a8r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a8r n ALA 81 N -1.12 1.92 -0.10 -0.72 0.00 -1.26 -2.17 120.51 117.06 1a8r n ALA 81 Ca 0.04 0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1a8r n ALA 81 Cb 0.03 -1.40 0.23 0.00 0.00 0.00 0.00 19.45 18.31 1a8r n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a8r n ASN 82 N -2.06 3.42 -4.77 0.00 3.02 -0.07 -4.99 115.26 109.80 1a8r n ASN 82 Ca 0.04 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.22 1a8r n ASN 82 Cb 0.29 -0.33 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.12 2.85 0.42 3.10 5.36 -0.92 -4.94 117.98 122.73 1a8r s PHE 83 Ca 0.37 1.29 -0.26 0.00 -0.96 0.00 0.00 56.93 57.37 1a8r s PHE 83 Cb 0.20 -3.83 -0.09 0.00 -0.34 0.00 0.00 43.02 38.96 1a8r s PHE 83 CO 0.27 -2.38 1.38 -1.25 -1.46 0.00 0.00 175.22 171.78 1a8r s PRO 84 N -1.84 3.89 -0.27 10.12 0.04 -1.26 -4.94 135.00 140.74 1a8r s PRO 84 Ca 0.51 2.32 -0.29 0.00 0.04 0.00 0.00 61.00 63.58 1a8r s PRO 84 Cb -0.43 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1a8r s PRO 84 CO 0.57 -0.62 1.60 0.15 0.04 0.00 0.00 177.00 178.74 1a8r s LYS 85 N -2.29 3.70 0.01 4.56 1.02 -1.26 -4.94 119.74 120.54 1a8r s LYS 85 Ca 0.58 1.50 -0.23 0.00 0.02 0.00 0.00 55.97 57.83 1a8r s LYS 85 Cb -0.41 -4.05 -0.05 0.00 -0.52 0.00 0.00 37.83 32.79 1a8r s LYS 85 CO 0.54 -1.41 0.70 0.42 -0.92 0.00 0.00 175.35 174.67 1a8r s ILE 86 N 5.46 4.84 -0.01 2.17 -1.09 -1.26 -4.95 121.20 126.36 1a8r s ILE 86 Ca 0.70 1.48 0.04 0.00 -2.23 0.00 0.00 60.65 60.64 1a8r s ILE 86 Cb -0.22 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 36.60 1a8r s ILE 86 CO 0.30 0.36 -0.15 0.42 -1.23 0.00 0.00 174.94 174.64 1a8r s THR 87 N 0.04 1.17 0.11 2.92 -4.23 -1.26 -5.08 115.64 109.31 1a8r s THR 87 Ca 0.36 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 1a8r s THR 87 Cb -0.19 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 1a8r s THR 87 CO 0.20 0.33 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.80 1a8r s LEU 88 N -0.30 2.44 0.10 4.79 1.43 -1.26 -1.31 118.68 124.57 1a8r s LEU 88 Ca 0.05 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.14 1a8r s LEU 88 Cb -0.06 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 1a8r s LEU 88 CO -0.00 -0.48 -0.08 0.27 0.23 0.00 0.00 176.35 176.29 1a8r s ILE 89 N -3.62 0.82 0.21 -0.59 -4.36 0.41 -4.95 121.20 109.12 1a8r s ILE 89 Ca 0.14 -1.74 -0.30 0.00 -0.26 0.00 0.00 60.65 58.49 1a8r s ILE 89 Cb 0.05 -1.45 -0.09 0.00 1.25 0.00 0.00 42.46 42.22 1a8r s ILE 89 CO -0.03 -0.68 1.42 -0.70 0.24 0.00 0.00 174.94 175.18 1a8r s GLU 90 N -3.16 4.30 -1.29 0.37 2.12 -1.26 -0.81 118.70 118.96 1a8r s GLU 90 Ca 0.07 2.22 -0.08 0.00 0.36 0.00 0.00 54.97 57.55 1a8r s GLU 90 Cb 0.00 -3.15 -0.07 0.00 0.26 0.00 0.00 34.13 31.17 1a8r s GLU 90 CO -0.02 -0.40 2.56 -1.71 -0.54 0.00 0.00 175.26 175.15 1a8r n ASN 91 N 2.80 6.97 0.19 -1.70 5.15 -0.10 -4.45 115.26 124.11 1a8r n ASN 91 Ca 0.08 -2.45 0.02 0.00 -0.60 0.00 0.00 54.58 51.63 1a8r n ASN 91 Cb 0.41 -1.34 0.36 0.00 -0.53 0.00 0.00 39.78 38.67 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 5.62 0.00 0.00 1.20 1.57 -1.89 -1.78 116.57 121.29 1a8r h LYS 92 Ca 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.48 1a8r h LYS 92 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1a8r h LYS 92 CO 1.63 0.37 0.00 0.52 -0.57 0.00 0.00 179.45 181.40 1a8r h MET 93 N 0.00 0.00 -5.89 3.15 2.86 -2.00 -3.45 114.93 109.60 1a8r h MET 93 Ca -0.00 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.24 1a8r h MET 93 Cb 0.66 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.43 1a8r h MET 93 CO 0.05 0.00 -0.73 1.63 1.06 0.00 0.00 176.91 178.91 1a8r n LYS 94 N -2.75 -6.91 -2.49 1.72 5.02 -0.67 -4.93 118.16 107.16 1a8r n LYS 94 Ca -0.02 0.78 -0.43 0.00 -2.02 0.00 0.00 58.31 56.62 1a8r n LYS 94 Cb 0.07 -5.75 -0.02 0.00 -0.02 0.00 0.00 35.03 29.31 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 -3.37 4.35 -0.14 -0.18 1.01 -1.26 -4.90 120.40 115.91 1a8r s VAL 95 Ca 0.37 1.65 0.17 0.00 0.00 0.00 0.00 61.98 64.18 1a8r s VAL 95 Cb -0.17 -4.06 0.44 0.00 0.00 0.00 0.00 36.38 32.58 1a8r s VAL 95 CO 0.75 -0.04 1.19 -0.90 0.00 0.00 0.00 175.10 176.10 1a8r n ASP 96 N 5.58 1.77 -4.24 3.32 5.75 -1.26 -4.30 116.55 123.17 1a8r n ASP 96 Ca 0.11 -2.99 -0.22 0.00 -0.01 0.00 0.00 54.79 51.69 1a8r n ASP 96 Cb 0.46 -0.42 -0.13 0.00 -1.03 0.00 0.00 41.12 40.01 1a8r n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1a8r s GLU 97 N -2.11 1.04 0.56 0.11 0.41 -1.26 -4.96 118.70 112.49 1a8r s GLU 97 Ca 0.37 -1.05 -0.20 0.00 -0.41 0.00 0.00 54.97 53.68 1a8r s GLU 97 Cb 0.38 -1.20 -0.05 0.00 -1.78 0.00 0.00 34.13 31.48 1a8r s GLU 97 CO -0.09 0.28 1.22 0.00 -0.49 0.00 0.00 175.26 176.17 1a8r s MET 98 N -1.73 3.17 -0.18 1.61 0.23 -1.26 -4.32 119.30 116.83 1a8r s MET 98 Ca 0.04 1.87 -0.03 0.00 -1.03 0.00 0.00 55.69 56.54 1a8r s MET 98 Cb -0.10 -2.07 -0.01 0.00 -1.53 0.00 0.00 34.83 31.12 1a8r s MET 98 CO 0.03 -1.06 -0.07 0.08 -2.03 0.00 0.00 175.02 171.97 1a8r s VAL 99 N -1.55 3.37 -0.07 5.16 1.01 0.45 -4.91 120.40 123.87 1a8r s VAL 99 Ca 0.74 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1a8r s VAL 99 Cb -0.31 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1a8r s VAL 99 CO 0.35 0.47 -0.20 -0.89 0.00 0.00 0.00 175.10 174.84 1a8r s THR 100 N 0.86 2.53 -0.21 3.92 2.01 -1.26 -1.65 115.64 121.84 1a8r s THR 100 Ca -0.02 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1a8r s THR 100 Cb -0.15 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.43 1a8r s THR 100 CO 0.01 0.57 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.66 1a8r s VAL 101 N -0.28 2.07 0.28 3.82 1.01 0.57 -4.99 120.40 122.88 1a8r s VAL 101 Ca 0.01 -1.23 0.09 0.00 0.00 0.00 0.00 61.98 60.84 1a8r s VAL 101 Cb -0.13 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1a8r s VAL 101 CO 0.03 0.28 0.09 0.00 0.00 0.00 0.00 175.10 175.50 1a8r s ARG 102 N 1.22 2.49 -1.40 2.72 1.70 -1.26 -0.90 118.95 123.51 1a8r s ARG 102 Ca -0.01 -1.35 -0.05 0.00 -0.47 0.00 0.00 55.73 53.85 1a8r s ARG 102 Cb -0.16 -2.28 0.03 0.00 -0.57 0.00 0.00 34.95 31.97 1a8r s ARG 102 CO -0.09 0.31 0.78 -0.25 -1.08 0.00 0.00 175.30 174.96 1a8r n ASP 103 N -1.04 -2.41 -4.70 -2.89 8.00 -1.12 -4.93 116.55 107.46 1a8r n ASP 103 Ca -0.06 -0.83 -0.42 0.00 0.71 0.00 0.00 54.79 54.19 1a8r n ASP 103 Cb 0.59 -3.88 -0.03 0.00 -0.02 0.00 0.00 41.12 37.78 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 -3.56 4.33 0.14 0.53 1.01 -0.07 -4.82 121.20 118.76 1a8r s ILE 104 Ca 0.25 1.66 -0.31 0.00 0.00 0.00 0.00 60.65 62.25 1a8r s ILE 104 Cb -0.13 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 1a8r s ILE 104 CO 0.83 0.06 1.50 -0.89 0.00 0.00 0.00 174.94 176.44 1a8r s THR 105 N 1.62 2.91 -0.13 2.92 2.01 -1.26 -0.97 115.64 122.73 1a8r s THR 105 Ca 0.55 0.65 -0.00 0.00 0.31 0.00 0.00 61.69 63.20 1a8r s THR 105 Cb -0.25 -3.41 0.02 0.00 0.01 0.00 0.00 72.50 68.87 1a8r s THR 105 CO 0.25 0.05 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.90 1a8r s LEU 106 N 1.18 1.45 -0.20 4.42 0.20 0.04 -4.80 118.68 120.96 1a8r s LEU 106 Ca 0.68 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 55.10 1a8r s LEU 106 Cb -0.41 -1.00 0.03 0.00 -0.43 0.00 0.00 46.19 44.38 1a8r s LEU 106 CO 0.31 -0.09 -0.16 0.42 -0.29 0.00 0.00 176.35 176.53 1a8r s THR 107 N 1.60 2.19 0.22 3.68 -4.23 -1.26 -0.86 115.64 116.99 1a8r s THR 107 Ca 0.05 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.52 1a8r s THR 107 Cb -0.13 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 1a8r s THR 107 CO -0.09 0.39 0.16 -0.24 -0.54 0.00 0.00 174.62 174.29 1a8r n SER 108 N 4.59 -0.09 -3.87 3.99 2.88 -0.45 -4.14 113.62 116.53 1a8r n SER 108 Ca -0.19 -2.37 -0.19 0.00 -1.33 0.00 0.00 58.87 54.80 1a8r n SER 108 Cb 0.48 0.95 -0.16 0.00 -0.75 0.00 0.00 64.21 64.73 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 -2.77 0.40 0.22 2.46 2.01 -1.25 -1.19 115.64 115.53 1a8r s THR 109 Ca 0.22 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 1a8r s THR 109 Cb 0.01 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 71.98 1a8r s THR 109 CO 0.16 0.19 1.11 0.00 -0.69 0.00 0.00 174.62 175.39 1a8r h GLU 111 N 4.54 0.00 -0.32 0.00 4.11 -1.22 0.19 114.58 121.88 1a8r h GLU 111 Ca -0.45 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.89 1a8r h GLU 111 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1a8r h GLU 111 CO 0.70 0.14 -0.17 0.66 0.07 0.00 0.00 179.01 180.41 1a8r h SER 112 N 0.00 0.58 0.00 3.06 4.64 -1.92 -3.35 113.55 116.55 1a8r h SER 112 Ca -0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1a8r h SER 112 Cb 0.92 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1a8r h SER 112 CO 0.02 0.77 0.00 1.41 -0.87 0.00 0.00 176.83 178.16 1a8r n HIS 113 N -4.15 0.00 -3.24 4.77 8.25 -1.23 -5.03 115.22 114.58 1a8r n HIS 113 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1a8r n HIS 113 Cb 0.37 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.29 -2.18 -4.22 4.41 3.01 0.65 -5.02 117.46 113.83 1a8r n PHE 114 Ca 0.00 0.71 -0.25 0.00 1.01 0.00 0.00 57.45 58.92 1a8r n PHE 114 Cb 0.05 -4.29 -0.07 0.00 -0.01 0.00 0.00 39.48 35.16 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 -3.21 3.73 0.30 -4.37 1.01 -1.23 -4.84 120.40 111.80 1a8r s VAL 115 Ca 0.41 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 1a8r s VAL 115 Cb -0.18 -2.92 -0.13 0.00 0.00 0.00 0.00 36.38 33.15 1a8r s VAL 115 CO 0.51 -0.19 1.30 0.41 0.00 0.00 0.00 175.10 177.12 1a8r n THR 116 N -0.40 1.65 -4.04 3.92 -1.04 -1.26 -0.63 114.28 112.47 1a8r n THR 116 Ca -0.09 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 1a8r n THR 116 Cb 0.56 -1.47 -0.17 0.00 -1.82 0.00 0.00 70.33 67.44 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 -0.74 1.51 -0.23 12.58 1.01 -0.33 -1.37 121.20 133.62 1a8r s ILE 117 Ca 0.60 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 1a8r s ILE 117 Cb -0.61 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.44 1a8r s ILE 117 CO 0.58 0.45 -0.04 -0.62 0.00 0.00 0.00 174.94 175.30 1a8r s ASP 118 N 1.47 4.32 0.11 3.58 2.15 0.24 -1.34 116.67 127.19 1a8r s ASP 118 Ca 0.04 -0.60 -0.02 0.00 0.43 0.00 0.00 52.55 52.41 1a8r s ASP 118 Cb -0.13 -1.71 0.01 0.00 -0.30 0.00 0.00 42.92 40.79 1a8r s ASP 118 CO -0.10 -0.07 0.18 0.61 -0.17 0.00 0.00 175.17 175.62 1a8r n GLY 119 N 4.75 2.41 2.90 2.66 0.00 -0.04 0.00 105.19 117.88 1a8r n GLY 119 Ca -0.17 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.16 0.03 0.09 1.61 1.02 0.36 -0.78 119.74 119.91 1a8r s LYS 120 Ca 0.07 0.04 0.07 0.00 0.02 0.00 0.00 55.97 56.18 1a8r s LYS 120 Cb -0.01 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 1a8r s LYS 120 CO 0.05 -0.01 -0.12 0.00 -0.92 0.00 0.00 175.35 174.35 1a8r s ALA 121 N 0.05 2.87 -0.12 5.17 0.00 -0.15 -1.23 121.76 128.36 1a8r s ALA 121 Ca -0.00 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1a8r s ALA 121 Cb -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1a8r s ALA 121 CO -0.00 0.62 -0.11 0.99 0.00 0.00 0.00 175.76 177.26 1a8r s THR 122 N -1.15 1.28 -0.06 0.00 2.01 0.55 -0.89 115.64 117.39 1a8r s THR 122 Ca 0.20 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.76 1a8r s THR 122 Cb -0.11 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.17 1a8r s THR 122 CO 0.11 0.41 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.56 1a8r s VAL 123 N 1.37 1.65 0.07 3.82 1.01 -0.08 -0.93 120.40 127.31 1a8r s VAL 123 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1a8r s VAL 123 Cb -0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1a8r s VAL 123 CO -0.06 0.47 -0.11 0.00 0.00 0.00 0.00 175.10 175.40 1a8r s ALA 124 N 0.11 0.96 -0.02 5.51 0.00 -0.63 -0.32 121.76 127.39 1a8r s ALA 124 Ca -0.08 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1a8r s ALA 124 Cb -0.14 -0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.03 1a8r s ALA 124 CO 0.04 0.06 0.68 1.52 0.00 0.00 0.00 175.76 178.06 1a8r s TYR 125 N -1.56 -0.63 -0.35 0.00 1.13 -0.66 -0.75 117.35 114.53 1a8r s TYR 125 Ca -0.03 0.98 -0.11 0.00 -1.41 0.00 0.00 57.07 56.49 1a8r s TYR 125 Cb -0.08 0.44 0.01 0.00 -1.10 0.00 0.00 41.96 41.22 1a8r s TYR 125 CO 0.01 -0.64 0.20 0.42 -2.51 0.00 0.00 175.55 173.04 1a8r s ILE 126 N -1.61 4.72 0.31 -3.49 1.01 -0.90 -0.41 121.20 120.83 1a8r s ILE 126 Ca -0.09 -0.64 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 1a8r s ILE 126 Cb -0.00 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.80 1a8r s ILE 126 CO 0.06 -0.13 1.39 -2.65 0.00 0.00 0.00 174.94 173.61 1a8r n PRO 127 N 5.02 2.25 0.00 2.79 -0.02 -1.26 -4.86 135.00 138.91 1a8r n PRO 127 Ca -0.12 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1a8r n PRO 127 Cb 0.47 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.16 0.00 0.03 -0.52 4.81 -1.26 -4.59 118.16 117.78 1a8r n LYS 128 Ca 0.07 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.56 1a8r n LYS 128 Cb 0.35 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.31 1a8r n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1a8r n ASP 129 N 0.00 0.53 -4.22 3.14 8.00 -1.26 -4.79 116.55 117.96 1a8r n ASP 129 Ca 0.00 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.59 1a8r n ASP 129 Cb 0.00 0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 41.82 1a8r n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a8r s SER 130 N -5.29 1.54 -0.14 -2.24 1.04 -1.26 -0.92 113.70 106.42 1a8r s SER 130 Ca -0.04 -1.00 0.01 0.00 0.48 0.00 0.00 55.95 55.40 1a8r s SER 130 Cb 0.10 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.25 1a8r s SER 130 CO 0.83 -0.38 -0.17 -0.69 0.98 0.00 0.00 173.24 173.82 1a8r s VAL 131 N -3.39 2.54 0.30 5.02 1.01 0.01 -4.72 120.40 121.16 1a8r s VAL 131 Ca 0.14 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 1a8r s VAL 131 Cb 0.03 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 1a8r s VAL 131 CO -0.01 0.53 0.70 -0.51 0.00 0.00 0.00 175.10 175.80 1a8r s ILE 132 N 0.72 4.73 0.17 2.22 2.07 -1.26 -0.45 121.20 129.40 1a8r s ILE 132 Ca -0.08 0.86 -0.32 0.00 -1.41 0.00 0.00 60.65 59.71 1a8r s ILE 132 Cb -0.16 -3.62 -0.11 0.00 0.13 0.00 0.00 42.46 38.70 1a8r s ILE 132 CO 0.01 -0.14 1.73 -0.83 -1.91 0.00 0.00 174.94 173.80 1a8r s GLY 133 N -2.26 1.31 0.19 1.50 0.00 -0.43 -4.91 107.32 102.72 1a8r s GLY 133 Ca 0.52 1.50 -0.18 0.00 0.00 0.00 0.00 44.72 46.56 1a8r s GLY 133 CO 0.18 2.92 1.61 1.41 0.00 0.00 0.00 173.10 179.23 1a8r h LEU 134 N 7.40 -0.84 -2.02 0.66 3.38 -1.95 -0.98 115.31 120.96 1a8r h LEU 134 Ca -0.44 0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1a8r h LEU 134 Cb 1.21 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 1a8r h LEU 134 CO 0.95 -0.26 0.10 0.77 0.09 0.00 0.00 178.44 180.08 1a8r h SER 135 N -0.12 0.00 -0.91 -0.43 4.64 -2.00 -2.20 113.55 112.53 1a8r h SER 135 Ca 0.24 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.59 1a8r h SER 135 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.53 1a8r h SER 135 CO -0.60 0.00 0.60 0.11 -0.87 0.00 0.00 176.83 176.07 1a8r h LYS 136 N 0.00 1.12 -0.79 4.77 1.79 -1.54 0.19 116.57 122.11 1a8r h LYS 136 Ca 0.06 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1a8r h LYS 136 Cb 0.26 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 1a8r h LYS 136 CO -0.00 0.74 0.47 0.82 -1.08 0.00 0.00 179.45 180.40 1a8r h ILE 137 N 1.15 1.22 0.01 1.86 2.04 -1.41 0.15 117.51 122.54 1a8r h ILE 137 Ca 0.36 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1a8r h ILE 137 Cb -0.01 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1a8r h ILE 137 CO -0.10 0.24 -0.00 0.78 0.00 0.00 0.00 178.15 179.06 1a8r h ASN 138 N 1.10 -0.01 -0.79 1.72 2.35 -1.16 -2.18 115.58 116.61 1a8r h ASN 138 Ca 0.28 -0.30 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1a8r h ASN 138 Cb -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.29 1a8r h ASN 138 CO -0.05 0.29 0.48 0.03 -1.65 0.00 0.00 177.43 176.53 1a8r h ARG 139 N -0.31 0.87 -0.13 0.81 3.08 -0.69 -0.82 114.38 117.19 1a8r h ARG 139 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1a8r h ARG 139 Cb 0.30 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1a8r h ARG 139 CO 0.00 0.57 0.04 0.82 -1.07 0.00 0.00 179.97 180.34 1a8r h ILE 140 N 0.89 1.17 -0.44 2.04 2.04 -0.91 0.25 117.51 122.55 1a8r h ILE 140 Ca 0.34 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.75 1a8r h ILE 140 Cb 0.14 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1a8r h ILE 140 CO -0.16 0.16 0.08 0.58 0.00 0.00 0.00 178.15 178.80 1a8r h VAL 141 N 0.03 0.75 -0.12 1.67 2.07 -1.02 -1.75 116.25 117.87 1a8r h VAL 141 Ca 0.04 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1a8r h VAL 141 Cb 0.21 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1a8r h VAL 141 CO -0.00 0.04 -0.29 1.56 0.02 0.00 0.00 177.57 178.89 1a8r h GLN 142 N 0.21 0.23 0.24 1.57 1.08 -0.91 -1.52 115.11 116.01 1a8r h GLN 142 Ca 0.22 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1a8r h GLN 142 Cb 0.28 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1a8r h GLN 142 CO -0.30 0.51 -0.11 0.35 -0.95 0.00 0.00 178.83 178.33 1a8r h PHE 143 N 0.21 -0.30 0.00 2.96 3.57 0.39 -1.37 116.94 122.40 1a8r h PHE 143 Ca 0.03 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1a8r h PHE 143 Cb 0.63 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1a8r h PHE 143 CO 0.01 -0.11 -0.35 0.74 -2.23 0.00 0.00 178.31 176.37 1a8r h PHE 144 N -0.42 0.00 -0.13 0.41 0.04 -1.43 -3.04 116.94 112.37 1a8r h PHE 144 Ca -0.03 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.60 1a8r h PHE 144 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1a8r h PHE 144 CO -0.03 0.35 -0.50 0.00 -0.60 0.00 0.00 178.31 177.53 1a8r h ALA 145 N 1.65 0.90 0.00 2.45 0.00 -1.05 -3.34 119.26 119.87 1a8r h ALA 145 Ca -0.00 -0.48 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1a8r h ALA 145 Cb 0.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1a8r h ALA 145 CO 0.05 0.66 3.11 1.04 0.00 0.00 0.00 179.25 184.11 1a8r n GLN 146 N -3.96 2.75 -3.48 0.00 1.13 -0.54 -4.19 117.38 109.09 1a8r n GLN 146 Ca -0.02 -2.34 -0.10 0.00 -1.94 0.00 0.00 57.00 52.60 1a8r n GLN 146 Cb 0.55 -3.09 -0.02 0.00 0.11 0.00 0.00 30.24 27.79 1a8r n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1a8r s ARG 147 N 3.31 0.98 -0.03 -1.09 0.52 -1.06 -1.04 118.95 120.55 1a8r s ARG 147 Ca 0.53 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.14 1a8r s ARG 147 Cb 0.15 0.45 -0.05 0.00 0.52 0.00 0.00 34.95 36.01 1a8r s ARG 147 CO -0.05 -0.42 1.50 -2.14 0.02 0.00 0.00 175.30 174.22 1a8r s PRO 148 N -3.09 4.23 0.41 3.54 0.02 -1.26 -3.79 135.00 135.07 1a8r s PRO 148 Ca 0.02 2.05 0.04 0.00 0.02 0.00 0.00 61.00 63.13 1a8r s PRO 148 Cb -0.01 -3.72 -0.04 0.00 0.02 0.00 0.00 34.50 30.74 1a8r s PRO 148 CO -0.09 -0.70 0.05 -0.65 -0.33 0.00 0.00 177.00 175.29 1a8r s GLN 149 N 3.06 1.94 -0.14 5.54 -1.52 0.10 -4.66 119.66 123.97 1a8r s GLN 149 Ca 0.67 -2.15 -0.03 0.00 -1.95 0.00 0.00 55.36 51.90 1a8r s GLN 149 Cb -0.32 -1.17 0.05 0.00 -0.22 0.00 0.00 33.01 31.35 1a8r s GLN 149 CO 0.27 -0.27 0.04 0.08 -0.25 0.00 0.00 175.29 175.15 1a8r s VAL 150 N -3.03 0.33 0.33 1.09 1.01 -1.26 -0.76 120.40 118.12 1a8r s VAL 150 Ca 0.25 -0.22 0.13 0.00 0.00 0.00 0.00 61.98 62.14 1a8r s VAL 150 Cb 0.06 -0.74 0.32 0.00 0.00 0.00 0.00 36.38 36.02 1a8r s VAL 150 CO 0.12 -0.05 1.68 -0.61 0.00 0.00 0.00 175.10 176.24 1a8r h GLN 151 N 8.31 0.36 -0.71 2.72 4.15 -1.99 0.56 115.11 128.51 1a8r h GLN 151 Ca -0.17 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.20 1a8r h GLN 151 Cb 1.13 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.70 1a8r h GLN 151 CO 0.29 0.24 0.33 0.93 -1.93 0.00 0.00 178.83 178.69 1a8r h GLU 152 N 0.37 1.04 -0.10 1.69 3.07 -1.99 -1.98 114.58 116.68 1a8r h GLU 152 Ca 0.71 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 59.37 1a8r h GLU 152 Cb 1.56 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1a8r h GLU 152 CO -0.58 0.83 -0.09 -0.09 -1.40 0.00 0.00 179.01 177.67 1a8r h ARG 153 N 1.00 0.25 -0.87 2.33 2.43 -1.38 -3.10 114.38 115.05 1a8r h ARG 153 Ca 0.24 -0.13 0.17 0.00 -0.81 0.00 0.00 59.98 59.46 1a8r h ARG 153 Cb 0.14 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.59 1a8r h ARG 153 CO -0.03 0.65 0.43 1.25 -1.51 0.00 0.00 179.97 180.76 1a8r h LEU 154 N -0.15 0.48 -0.51 3.80 5.85 -0.99 -0.15 115.31 123.64 1a8r h LEU 154 Ca 0.02 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1a8r h LEU 154 Cb 0.60 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1a8r h LEU 154 CO 0.02 0.16 0.06 0.74 -0.34 0.00 0.00 178.44 179.08 1a8r h THR 155 N 0.56 1.25 -0.23 1.05 2.02 -1.37 -2.35 112.91 113.85 1a8r h THR 155 Ca 0.49 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1a8r h THR 155 Cb 0.78 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1a8r h THR 155 CO -0.41 0.35 0.13 1.56 0.37 0.00 0.00 175.52 177.52 1a8r h GLN 156 N 0.74 0.31 -0.50 6.66 1.08 -1.15 -1.93 115.11 120.32 1a8r h GLN 156 Ca 0.15 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.37 1a8r h GLN 156 Cb 0.43 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 1a8r h GLN 156 CO 0.01 0.26 0.25 1.96 -0.95 0.00 0.00 178.83 180.36 1a8r h GLN 157 N 0.27 0.47 -0.49 1.46 4.20 -0.95 -1.08 115.11 118.98 1a8r h GLN 157 Ca 0.08 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1a8r h GLN 157 Cb 0.04 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1a8r h GLN 157 CO -0.01 0.31 0.16 0.82 -0.67 0.00 0.00 178.83 179.43 1a8r h ILE 158 N 0.48 1.23 0.32 2.54 2.04 -1.28 0.25 117.51 123.08 1a8r h ILE 158 Ca 0.22 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1a8r h ILE 158 Cb 0.13 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1a8r h ILE 158 CO -0.16 0.28 -0.25 0.25 0.00 0.00 0.00 178.15 178.27 1a8r h LEU 159 N 0.66 -0.66 -0.39 1.44 5.85 -0.92 -0.94 115.31 120.35 1a8r h LEU 159 Ca 0.16 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1a8r h LEU 159 Cb 0.26 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1a8r h LEU 159 CO -0.01 -0.38 0.25 0.40 -0.34 0.00 0.00 178.44 178.36 1a8r h ILE 160 N -0.58 1.08 -0.26 4.05 1.08 -1.13 0.82 117.51 122.57 1a8r h ILE 160 Ca -0.02 -0.17 0.06 0.00 -0.39 0.00 0.00 64.86 64.33 1a8r h ILE 160 Cb 0.51 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 34.73 1a8r h ILE 160 CO -0.01 0.09 -0.10 0.00 -0.69 0.00 0.00 178.15 177.44 1a8r h ALA 161 N 1.15 0.13 -0.39 1.87 0.00 -0.78 -0.61 119.26 120.63 1a8r h ALA 161 Ca 0.15 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1a8r h ALA 161 Cb -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1a8r h ALA 161 CO -0.05 -0.50 0.03 -0.07 0.00 0.00 0.00 179.25 178.66 1a8r h LEU 162 N -0.05 0.66 -0.50 0.00 3.38 -0.73 -1.29 115.31 116.79 1a8r h LEU 162 Ca 0.13 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1a8r h LEU 162 Cb 0.25 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1a8r h LEU 162 CO -0.30 0.78 0.20 1.56 0.09 0.00 0.00 178.44 180.78 1a8r h GLN 163 N 0.51 0.39 0.08 1.13 4.20 -0.50 0.21 115.11 121.13 1a8r h GLN 163 Ca 0.12 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1a8r h GLN 163 Cb 0.43 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1a8r h GLN 163 CO 0.01 0.26 -0.14 1.15 -0.67 0.00 0.00 178.83 179.44 1a8r h THR 164 N 0.40 0.68 -0.39 -0.54 2.02 -0.86 0.26 112.91 114.48 1a8r h THR 164 Ca 0.23 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.33 1a8r h THR 164 Cb 0.21 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1a8r h THR 164 CO -0.21 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.49 1a8r h LEU 165 N -0.28 0.68 0.00 2.58 3.38 -0.89 -3.15 115.31 117.64 1a8r h LEU 165 Ca 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1a8r h LEU 165 Cb 0.29 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1a8r h LEU 165 CO -0.08 0.83 -0.55 -0.07 0.09 0.00 0.00 178.44 178.66 1a8r h LEU 166 N 0.63 0.00 -0.69 1.67 3.38 -0.39 -3.48 115.31 116.44 1a8r h LEU 166 Ca 0.11 -0.10 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1a8r h LEU 166 Cb 0.57 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.40 1a8r h LEU 166 CO 0.04 0.05 -0.43 0.61 0.09 0.00 0.00 178.44 178.79 1a8r n GLY 167 N 1.26 -0.03 3.35 0.83 0.00 0.89 -4.72 105.19 106.77 1a8r n GLY 167 Ca 0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.17 0.03 -0.66 2.61 2.01 -1.05 -4.89 115.64 110.53 1a8r s THR 168 Ca 0.35 -0.28 0.23 0.00 0.31 0.00 0.00 61.69 62.31 1a8r s THR 168 Cb -0.16 -0.76 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 1a8r s THR 168 CO 0.44 -0.15 1.13 0.59 -0.69 0.00 0.00 174.62 175.94 1a8r n ASN 169 N 1.20 0.63 -4.58 3.53 3.02 -1.26 -4.31 115.26 113.50 1a8r n ASN 169 Ca -0.20 -0.14 -0.39 0.00 -0.03 0.00 0.00 54.58 53.82 1a8r n ASN 169 Cb 0.56 0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 40.30 1a8r n ASN 169 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1a8r s ASN 170 N -3.92 6.35 -0.01 6.41 0.01 -1.26 -0.64 114.94 121.89 1a8r s ASN 170 Ca 0.05 -2.11 -0.10 0.00 -0.71 0.00 0.00 52.86 49.99 1a8r s ASN 170 Cb 0.14 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.23 1a8r s ASN 170 CO 0.77 -1.67 0.20 -0.69 -1.51 0.00 0.00 177.10 174.20 1a8r s VAL 171 N 5.97 0.07 -0.04 1.60 1.01 -1.25 -2.12 120.40 125.64 1a8r s VAL 171 Ca 0.57 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1a8r s VAL 171 Cb 0.02 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1a8r s VAL 171 CO 0.07 -0.30 0.13 0.00 0.00 0.00 0.00 175.10 175.00 1a8r s ALA 172 N -1.20 -0.32 -0.02 5.51 0.00 0.07 -0.37 121.76 125.44 1a8r s ALA 172 Ca -0.13 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1a8r s ALA 172 Cb -0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 1a8r s ALA 172 CO 0.02 -0.07 -0.10 0.08 0.00 0.00 0.00 175.76 175.69 1a8r s VAL 173 N -0.06 0.82 -0.02 0.00 1.01 -0.13 -1.60 120.40 120.42 1a8r s VAL 173 Ca -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1a8r s VAL 173 Cb -0.02 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.67 1a8r s VAL 173 CO 0.00 0.24 -0.01 -0.55 0.00 0.00 0.00 175.10 174.79 1a8r s SER 174 N -0.01 0.35 -0.04 3.32 0.15 -0.10 -0.17 113.70 117.20 1a8r s SER 174 Ca 0.00 -0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.65 1a8r s SER 174 Cb -0.07 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1a8r s SER 174 CO 0.00 -0.04 -0.14 -0.63 1.20 0.00 0.00 173.24 173.63 1a8r s ILE 175 N 0.55 1.22 -0.10 6.45 1.01 0.35 -0.33 121.20 130.35 1a8r s ILE 175 Ca -0.05 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1a8r s ILE 175 Cb -0.08 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1a8r s ILE 175 CO -0.01 0.36 -0.19 -0.62 0.00 0.00 0.00 174.94 174.48 1a8r s ASP 176 N 0.22 2.64 0.11 3.58 -1.08 -0.36 -0.68 116.67 121.10 1a8r s ASP 176 Ca -0.06 -0.47 -0.17 0.00 -0.52 0.00 0.00 52.55 51.32 1a8r s ASP 176 Cb -0.12 -1.21 0.04 0.00 -1.46 0.00 0.00 42.92 40.17 1a8r s ASP 176 CO 0.02 0.09 0.43 0.00 0.52 0.00 0.00 175.17 176.23 1a8r s ALA 177 N 0.61 -1.04 -0.17 3.66 0.00 0.39 -0.49 121.76 124.72 1a8r s ALA 177 Ca -0.14 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 1a8r s ALA 177 Cb -0.17 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1a8r s ALA 177 CO 0.04 -0.63 -0.05 0.08 0.00 0.00 0.00 175.76 175.21 1a8r s VAL 178 N -3.56 3.67 -0.34 0.00 1.01 0.10 -0.63 120.40 120.64 1a8r s VAL 178 Ca 0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1a8r s VAL 178 Cb 0.01 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1a8r s VAL 178 CO -0.10 0.47 0.22 -1.00 0.00 0.00 0.00 175.10 174.69 1a8r s HIS 179 N 0.66 3.22 -1.01 5.22 3.76 -1.26 -0.59 115.29 125.29 1a8r s HIS 179 Ca -0.03 -0.38 0.11 0.00 -0.15 0.00 0.00 55.06 54.61 1a8r s HIS 179 Cb -0.15 -2.46 0.46 0.00 1.11 0.00 0.00 32.58 31.55 1a8r s HIS 179 CO 0.02 -0.42 1.34 0.66 -0.85 0.00 0.00 174.74 175.49 1a8r n TYR 180 N 5.08 0.00 0.39 1.40 4.01 -0.47 -0.95 117.16 126.61 1a8r n TYR 180 Ca -0.13 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.74 1a8r n TYR 180 Cb 0.49 -0.50 0.29 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.75 1.56 -0.04 0.00 0.31 -0.13 -4.30 118.33 112.98 1a8r n VAL 182 Ca 0.04 -0.55 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 1a8r n VAL 182 Cb 0.47 -1.57 -0.10 0.00 -0.91 0.00 0.00 33.84 31.74 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 -0.14 -0.03 -0.65 5.55 3.64 -1.10 -1.59 116.57 122.24 1a8r h LYS 183 Ca -0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1a8r h LYS 183 Cb 1.87 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 1a8r h LYS 183 CO -0.10 0.68 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 1a8r n ALA 184 N -2.61 3.22 -3.69 5.00 0.00 -0.20 -3.77 120.51 118.46 1a8r n ALA 184 Ca -0.08 -1.29 -0.04 0.00 0.00 0.00 0.00 53.44 52.03 1a8r n ALA 184 Cb 0.35 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 1a8r n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a8r s ARG 185 N -2.02 1.00 6.24 0.00 3.52 -1.23 -4.97 118.95 121.49 1a8r s ARG 185 Ca 0.39 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1a8r s ARG 185 Cb 0.28 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 34.03 1a8r s ARG 185 CO 0.15 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 1a8r n GLY 186 N -0.42 2.74 0.26 8.12 0.00 -1.26 -0.96 105.19 113.67 1a8r n GLY 186 Ca -0.07 0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.39 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 0.51 -6.18 -0.61 6.09 -1.84 -3.47 117.51 112.01 1a8r h ILE 187 Ca 0.00 -0.54 -0.43 0.00 -1.37 0.00 0.00 64.86 62.52 1a8r h ILE 187 Cb 0.00 1.36 0.04 0.00 0.47 0.00 0.00 36.82 38.69 1a8r h ILE 187 CO 0.00 0.11 -0.87 0.54 -3.07 0.00 0.00 178.15 174.86 1a8r n ARG 188 N -3.58 -3.62 -2.96 2.19 1.74 -0.13 -4.92 116.66 105.39 1a8r n ARG 188 Ca -0.02 0.55 -0.43 0.00 -0.77 0.00 0.00 57.85 57.18 1a8r n ARG 188 Cb 0.24 -4.83 -0.05 0.00 -1.02 0.00 0.00 32.46 26.80 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 -4.14 6.32 0.52 0.55 -1.08 -0.83 -4.91 116.67 113.11 1a8r s ASP 189 Ca 0.12 -0.44 0.31 0.00 -0.52 0.00 0.00 52.55 52.01 1a8r s ASP 189 Cb -0.04 -2.38 1.10 0.00 -1.46 0.00 0.00 42.92 40.14 1a8r s ASP 189 CO 0.84 -1.05 1.89 0.00 0.52 0.00 0.00 175.17 177.36 1a8r h ALA 190 N 9.14 1.00 0.00 3.66 0.00 -1.88 -3.36 119.26 127.82 1a8r h ALA 190 Ca -0.26 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.35 1a8r h ALA 190 Cb 1.08 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1a8r h ALA 190 CO 1.02 0.02 -2.22 0.25 0.00 0.00 0.00 179.25 178.32 1a8r n THR 191 N -3.11 1.07 -1.52 0.00 -2.24 -1.26 -5.05 114.28 102.17 1a8r n THR 191 Ca 0.01 -0.74 -0.32 0.00 -2.27 0.00 0.00 64.05 60.73 1a8r n THR 191 Cb 0.37 -0.42 0.07 0.00 -2.10 0.00 0.00 70.33 68.25 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 -5.14 4.70 0.06 3.42 1.04 -1.26 -5.08 113.70 111.44 1a8r s SER 192 Ca -0.09 2.00 -0.08 0.00 0.48 0.00 0.00 55.95 58.26 1a8r s SER 192 Cb 0.07 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.64 1a8r s SER 192 CO 0.78 -1.91 0.17 0.00 0.98 0.00 0.00 173.24 173.26 1a8r s ALA 193 N -2.47 -0.23 -0.07 5.32 0.00 -1.26 -4.80 121.76 118.24 1a8r s ALA 193 Ca 0.66 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.19 1a8r s ALA 193 Cb -0.21 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1a8r s ALA 193 CO 0.47 -0.41 -0.22 0.99 0.00 0.00 0.00 175.76 176.59 1a8r s THR 194 N -3.12 2.35 -0.07 0.00 2.01 0.20 -4.93 115.64 112.07 1a8r s THR 194 Ca -0.01 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.08 1a8r s THR 194 Cb 0.02 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1a8r s THR 194 CO -0.07 0.57 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.30 1a8r s THR 195 N -0.17 2.14 0.01 -0.82 2.01 -1.26 -0.46 115.64 117.09 1a8r s THR 195 Ca -0.03 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.97 1a8r s THR 195 Cb -0.14 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 1a8r s THR 195 CO 0.04 0.57 -0.07 0.42 -0.69 0.00 0.00 174.62 174.88 1a8r s THR 196 N -0.01 0.52 0.09 -0.82 -4.23 0.14 -4.98 115.64 106.34 1a8r s THR 196 Ca -0.08 -0.45 0.05 0.00 -1.18 0.00 0.00 61.69 60.03 1a8r s THR 196 Cb -0.15 -0.47 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 1a8r s THR 196 CO 0.05 0.03 -0.14 0.42 -0.54 0.00 0.00 174.62 174.44 1a8r s THR 197 N -0.42 1.15 -0.22 3.99 -4.23 -1.26 -0.49 115.64 114.16 1a8r s THR 197 Ca -0.00 -1.44 -0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1a8r s THR 197 Cb -0.04 -1.21 0.07 0.00 1.34 0.00 0.00 72.50 72.66 1a8r s THR 197 CO -0.00 -0.30 0.08 -0.44 -0.54 0.00 0.00 174.62 173.41 1a8r s SER 198 N -1.98 3.00 -0.23 3.99 0.01 0.77 -4.99 113.70 114.27 1a8r s SER 198 Ca 0.01 -0.95 -0.09 0.00 1.31 0.00 0.00 55.95 56.24 1a8r s SER 198 Cb -0.08 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 1a8r s SER 198 CO 0.02 -0.36 0.11 -0.76 0.41 0.00 0.00 173.24 172.66 1a8r s LEU 199 N 1.95 3.79 0.29 2.44 1.43 -1.26 -0.96 118.68 126.36 1a8r s LEU 199 Ca 0.03 -0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.21 1a8r s LEU 199 Cb -0.17 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 1a8r s LEU 199 CO -0.16 0.05 -0.05 -0.83 0.23 0.00 0.00 176.35 175.59 1a8r s GLY 200 N 1.14 1.80 0.00 -3.19 0.00 0.51 -4.36 107.32 103.21 1a8r s GLY 200 Ca 0.06 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1a8r s GLY 200 CO 0.04 -1.82 0.00 0.61 0.00 0.00 0.00 173.10 171.93 1a8r n GLY 201 N -0.84 3.02 0.34 0.20 0.00 0.19 -1.36 105.19 106.74 1a8r n GLY 201 Ca -0.06 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 0.15 -1.78 0.99 3.38 -1.94 0.13 115.31 116.24 1a8r h LEU 202 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1a8r h LEU 202 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1a8r h LEU 202 CO 0.00 0.10 -0.15 -0.26 0.09 0.00 0.00 178.44 178.22 1a8r h PHE 203 N 0.17 0.00 0.00 1.13 0.04 -1.48 0.43 116.94 117.24 1a8r h PHE 203 Ca 0.20 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.77 1a8r h PHE 203 Cb 0.57 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 1a8r h PHE 203 CO -0.00 0.15 -1.25 1.17 -0.60 0.00 0.00 178.31 177.78 1a8r n LYS 204 N -4.11 0.54 0.41 1.51 3.00 -0.24 -4.06 118.16 115.20 1a8r n LYS 204 Ca -0.02 0.50 -0.17 0.00 -0.00 0.00 0.00 58.31 58.62 1a8r n LYS 204 Cb 0.23 -1.68 -0.08 0.00 0.00 0.00 0.00 35.03 33.49 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 -0.89 -3.62 3.14 0.02 -0.70 -3.43 113.55 107.07 1a8r h SER 205 Ca -0.30 0.02 -0.60 0.00 -0.84 0.00 0.00 61.79 60.08 1a8r h SER 205 Cb 1.14 0.23 -0.10 0.00 0.14 0.00 0.00 62.40 63.81 1a8r h SER 205 CO -0.18 -0.54 0.60 -0.55 -1.14 0.00 0.00 176.83 175.02 1a8r s SER 206 N -4.34 6.55 0.47 3.07 0.15 0.15 -4.92 113.70 114.83 1a8r s SER 206 Ca -0.16 0.25 0.14 0.00 0.70 0.00 0.00 55.95 56.88 1a8r s SER 206 Cb 0.02 -2.46 1.10 0.00 -1.71 0.00 0.00 66.02 62.97 1a8r s SER 206 CO 0.49 -1.00 2.08 -0.61 1.20 0.00 0.00 173.24 175.40 1a8r h GLN 207 N 8.92 0.11 -0.00 5.44 4.15 -1.84 0.11 115.11 132.00 1a8r h GLN 207 Ca -0.24 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 1a8r h GLN 207 Cb 1.08 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.74 1a8r h GLN 207 CO 1.02 0.13 0.00 -0.97 -1.93 0.00 0.00 178.83 177.08 1a8r h ASN 208 N 0.11 0.01 -0.16 -0.69 -1.24 -1.91 -0.89 115.58 110.81 1a8r h ASN 208 Ca 0.03 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 56.85 1a8r h ASN 208 Cb 0.10 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1a8r h ASN 208 CO 0.00 0.16 -0.02 0.74 -1.29 0.00 0.00 177.43 177.02 1a8r h THR 209 N -0.15 1.27 -0.04 -3.57 2.02 -1.63 -2.84 112.91 107.97 1a8r h THR 209 Ca 0.00 -0.92 0.04 0.00 0.77 0.00 0.00 66.41 66.30 1a8r h THR 209 Cb 0.16 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 1a8r h THR 209 CO -0.00 0.27 -0.37 -0.09 0.37 0.00 0.00 175.52 175.70 1a8r h ARG 210 N 0.02 -0.48 0.00 6.66 2.43 -0.76 -1.82 114.38 120.42 1a8r h ARG 210 Ca 0.04 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1a8r h ARG 210 Cb 0.42 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1a8r h ARG 210 CO 0.01 -0.32 -0.08 0.45 -1.51 0.00 0.00 179.97 178.52 1a8r h HIS 211 N -0.50 0.00 -0.03 2.20 3.86 -1.23 -0.01 115.15 119.44 1a8r h HIS 211 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1a8r h HIS 211 Cb 0.60 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 1a8r h HIS 211 CO -0.40 0.08 -0.02 0.93 0.86 0.00 0.00 177.93 179.39 1a8r h GLU 212 N 0.00 0.07 0.16 2.45 5.08 -1.16 0.62 114.58 121.79 1a8r h GLU 212 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1a8r h GLU 212 Cb 0.53 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1a8r h GLU 212 CO 0.01 0.47 -0.08 0.35 -1.00 0.00 0.00 179.01 178.77 1a8r h PHE 213 N -0.34 -0.20 -0.72 4.33 3.57 -0.94 -1.38 116.94 121.25 1a8r h PHE 213 Ca 0.01 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1a8r h PHE 213 Cb 0.46 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 1a8r h PHE 213 CO 0.07 -0.10 0.44 -0.07 -2.23 0.00 0.00 178.31 176.42 1a8r h LEU 214 N -0.24 0.70 -0.66 0.59 3.38 -1.00 -1.93 115.31 116.14 1a8r h LEU 214 Ca -0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1a8r h LEU 214 Cb 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1a8r h LEU 214 CO 0.04 0.47 0.43 -0.09 0.09 0.00 0.00 178.44 179.37 1a8r h ARG 215 N 0.83 0.84 0.00 1.13 2.43 -0.68 -2.12 114.38 116.81 1a8r h ARG 215 Ca 0.30 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1a8r h ARG 215 Cb 0.09 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1a8r h ARG 215 CO -0.14 0.56 -0.10 0.00 -1.51 0.00 0.00 179.97 178.78 1a8r h ALA 216 N 1.25 1.56 -2.85 2.80 0.00 -0.52 -3.44 119.26 118.05 1a8r h ALA 216 Ca 0.25 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.53 1a8r h ALA 216 Cb -0.07 -0.02 0.08 0.00 0.00 0.00 0.00 17.79 17.78 1a8r h ALA 216 CO -0.07 0.13 0.77 0.08 0.00 0.00 0.00 179.25 180.16 1a8r s VAL 217 N -4.54 2.33 -0.24 0.00 1.01 -0.80 -4.38 120.40 113.79 1a8r s VAL 217 Ca -0.04 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1a8r s VAL 217 Cb 0.15 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1a8r s VAL 217 CO 0.62 0.06 0.02 -1.14 0.00 0.00 0.00 175.10 174.67 1a8r n ARG 218 N 1.34 -2.88 -3.82 2.72 3.00 -1.26 -5.04 116.66 110.72 1a8r n ARG 218 Ca 0.04 2.38 -0.30 0.00 -0.00 0.00 0.00 57.85 59.97 1a8r n ARG 218 Cb 0.40 -4.48 -0.15 0.00 0.00 0.00 0.00 32.46 28.23 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 -1.23 2.04 -0.33 -0.14 3.76 -1.26 -5.09 115.29 113.04 1a8r s HIS 219 Ca -0.02 -1.78 -0.35 0.00 -0.15 0.00 0.00 55.06 52.76 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 0.63 -0.82 2.17 0.72 -0.85 0.00 0.00 174.74 176.58 1a8r n HIS 220 N 4.76 1.67 -0.20 1.40 8.25 -1.26 -5.04 115.22 124.80 1a8r n HIS 220 Ca -0.04 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1a8r n HIS 220 Cb 0.43 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 28.99 1a8r n HIS 220 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07