#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8b s LEU 3 N 0.00 4.11 -0.26 0.00 1.02 -1.26 -4.97 118.68 117.31 1a8b s LEU 3 Ca 0.00 0.87 -0.25 0.00 0.02 0.00 0.00 54.13 54.77 1a8b s LEU 3 Cb 0.00 -3.66 0.08 0.00 0.02 0.00 0.00 46.19 42.64 1a8b s LEU 3 CO 0.00 -0.14 0.80 -0.60 0.02 0.00 0.00 176.35 176.43 1a8b s ARG 4 N -3.13 0.77 0.62 1.70 3.52 -1.14 -4.94 118.95 116.35 1a8b s ARG 4 Ca 0.47 0.87 0.06 0.00 -0.13 0.00 0.00 55.73 56.99 1a8b s ARG 4 Cb -0.11 0.37 0.10 0.00 -1.56 0.00 0.00 34.95 33.75 1a8b s ARG 4 CO 0.25 -0.10 0.86 0.20 -0.81 0.00 0.00 175.30 175.69 1a8b s GLY 5 N 0.27 1.75 -0.11 8.12 0.00 -1.13 -0.64 107.32 115.59 1a8b s GLY 5 Ca 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 44.72 42.73 1a8b s GLY 5 CO -0.00 -1.48 0.42 -1.30 0.00 0.00 0.00 173.10 170.74 1a8b n THR 6 N -2.45 1.75 -2.80 0.90 -2.24 -0.43 -4.58 114.28 104.44 1a8b n THR 6 Ca 0.15 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 1a8b n THR 6 Cb 0.61 -1.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.21 1a8b n THR 6 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1a8b s VAL 7 N -2.57 4.79 0.25 2.28 1.01 -1.21 -5.05 120.40 119.91 1a8b s VAL 7 Ca -0.19 1.77 0.05 0.00 0.00 0.00 0.00 61.98 63.62 1a8b s VAL 7 Cb 0.07 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1a8b s VAL 7 CO 0.78 -0.08 -0.04 0.42 0.00 0.00 0.00 175.10 176.18 1a8b s THR 8 N 2.73 1.38 0.21 3.92 -4.23 -1.26 -4.61 115.64 113.77 1a8b s THR 8 Ca 0.40 -2.08 -0.32 0.00 -1.18 0.00 0.00 61.69 58.50 1a8b s THR 8 Cb -0.16 -2.38 -0.12 0.00 1.34 0.00 0.00 72.50 71.18 1a8b s THR 8 CO 0.09 -0.33 1.68 0.47 -0.54 0.00 0.00 174.62 175.99 1a8b n ASP 9 N -0.50 3.80 -4.69 3.99 8.00 -1.26 -2.94 116.55 122.95 1a8b n ASP 9 Ca -0.05 1.08 -0.42 0.00 0.71 0.00 0.00 54.79 56.10 1a8b n ASP 9 Cb 0.63 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.16 1a8b n ASP 9 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1a8b s PHE 10 N 0.95 3.39 0.29 1.24 5.36 -1.26 -4.90 117.98 123.05 1a8b s PHE 10 Ca 0.74 1.43 -0.29 0.00 -0.96 0.00 0.00 56.93 57.85 1a8b s PHE 10 Cb -0.54 -3.30 -0.10 0.00 -0.34 0.00 0.00 43.02 38.75 1a8b s PHE 10 CO 0.36 -0.74 1.10 -1.12 -1.46 0.00 0.00 175.22 173.36 1a8b s SER 11 N 1.24 7.23 -1.12 6.13 0.01 -1.26 -3.32 113.70 122.61 1a8b s SER 11 Ca 0.53 2.27 -0.05 0.00 1.31 0.00 0.00 55.95 60.00 1a8b s SER 11 Cb -0.22 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.39 1a8b s SER 11 CO 0.22 -0.17 0.67 0.61 0.41 0.00 0.00 173.24 174.98 1a8b n GLY 12 N 1.14 -0.21 3.77 3.44 0.00 -1.26 -4.97 105.19 107.11 1a8b n GLY 12 Ca -0.01 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1a8b n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a8b s PHE 13 N -3.13 3.02 -0.17 1.61 5.36 -1.21 -5.04 117.98 118.43 1a8b s PHE 13 Ca 0.33 1.57 -0.04 0.00 -0.96 0.00 0.00 56.93 57.83 1a8b s PHE 13 Cb -0.15 -3.30 0.08 0.00 -0.34 0.00 0.00 43.02 39.31 1a8b s PHE 13 CO 0.41 -1.20 0.20 0.34 -1.46 0.00 0.00 175.22 173.51 1a8b s ASP 14 N -1.41 1.22 0.22 6.13 -1.08 -1.26 -5.02 116.67 115.47 1a8b s ASP 14 Ca 0.61 -0.05 -0.08 0.00 -0.52 0.00 0.00 52.55 52.51 1a8b s ASP 14 Cb -0.27 0.33 0.25 0.00 -1.46 0.00 0.00 42.92 41.78 1a8b s ASP 14 CO 0.33 -0.30 1.83 1.23 0.52 0.00 0.00 175.17 178.78 1a8b h GLY 15 N 8.33 1.09 0.67 2.66 0.00 -1.96 -1.62 103.07 112.24 1a8b h GLY 15 Ca -0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1a8b h GLY 15 CO 0.24 0.23 -0.04 -0.09 0.00 0.00 0.00 176.54 176.87 1a8b h ARG 16 N 0.83 -0.12 -0.48 4.80 2.43 -1.93 0.39 114.38 120.31 1a8b h ARG 16 Ca 0.32 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.59 1a8b h ARG 16 Cb 0.12 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.60 1a8b h ARG 16 CO -0.15 0.21 -0.27 0.00 -1.51 0.00 0.00 179.97 178.25 1a8b h ALA 17 N 0.41 0.03 -0.42 2.80 0.00 -1.94 -2.79 119.26 117.35 1a8b h ALA 17 Ca -0.01 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1a8b h ALA 17 Cb 0.38 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1a8b h ALA 17 CO 0.02 -0.62 0.01 -0.44 0.00 0.00 0.00 179.25 178.22 1a8b h ASP 18 N -0.16 0.63 0.15 0.00 5.19 -1.08 -1.51 116.42 119.64 1a8b h ASP 18 Ca 0.22 -0.13 -0.11 0.00 -0.62 0.00 0.00 57.03 56.38 1a8b h ASP 18 Cb 0.50 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1a8b h ASP 18 CO -0.58 0.70 -0.39 0.00 -3.12 0.00 0.00 179.24 175.85 1a8b h ALA 19 N 1.38 1.06 -0.33 3.45 0.00 -0.66 -2.01 119.26 122.14 1a8b h ALA 19 Ca 0.13 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1a8b h ALA 19 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1a8b h ALA 19 CO 0.01 0.60 -0.16 0.93 0.00 0.00 0.00 179.25 180.63 1a8b h GLU 20 N 0.28 0.59 -0.49 0.00 5.08 -1.05 0.21 114.58 119.20 1a8b h GLU 20 Ca 0.03 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1a8b h GLU 20 Cb 0.82 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1a8b h GLU 20 CO 0.07 0.73 0.09 0.28 -1.00 0.00 0.00 179.01 179.18 1a8b h VAL 21 N 0.54 1.25 -0.40 3.13 2.07 -1.25 0.16 116.25 121.75 1a8b h VAL 21 Ca 0.09 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 1a8b h VAL 21 Cb 0.59 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1a8b h VAL 21 CO 0.04 0.32 -0.03 -0.07 0.02 0.00 0.00 177.57 177.85 1a8b h LEU 22 N 0.68 0.72 -0.29 2.57 3.38 -0.93 0.96 115.31 122.40 1a8b h LEU 22 Ca 0.15 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1a8b h LEU 22 Cb 0.38 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1a8b h LEU 22 CO 0.01 0.88 0.05 -0.09 0.09 0.00 0.00 178.44 179.37 1a8b h ARG 23 N 0.55 0.14 0.00 1.13 1.12 -0.43 -1.91 114.38 114.98 1a8b h ARG 23 Ca 0.11 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.94 1a8b h ARG 23 Cb 0.53 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.45 1a8b h ARG 23 CO 0.03 0.10 -0.14 0.87 -3.11 0.00 0.00 179.97 177.72 1a8b h LYS 24 N 0.15 0.00 0.00 0.20 1.57 -0.47 0.98 116.57 119.00 1a8b h LYS 24 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1a8b h LYS 24 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1a8b h LYS 24 CO -0.19 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 178.83 1a8b h ALA 25 N 1.86 1.00 0.00 3.86 0.00 0.18 -3.33 119.26 122.83 1a8b h ALA 25 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1a8b h ALA 25 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1a8b h ALA 25 CO 0.02 0.00 -1.52 -1.33 0.00 0.00 0.00 179.25 176.41 1a8b n MET 26 N -2.79 2.16 -1.62 0.00 2.81 -0.73 -1.13 117.12 115.82 1a8b n MET 26 Ca 0.02 0.01 -0.54 0.00 -1.81 0.00 0.00 57.70 55.39 1a8b n MET 26 Cb 0.34 -1.19 -0.06 0.00 -0.71 0.00 0.00 33.22 31.59 1a8b n MET 26 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1a8b n LYS 27 N -2.40 1.12 0.00 0.03 3.00 0.26 -4.70 118.16 115.47 1a8b n LYS 27 Ca -0.13 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1a8b n LYS 27 Cb 0.73 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.70 1a8b n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a8b n GLY 28 N 2.94 -1.05 3.73 3.14 0.00 -1.26 -4.83 105.19 107.86 1a8b n GLY 28 Ca 0.21 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1a8b n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a8b s LEU 29 N 0.00 4.40 0.00 0.99 1.43 -1.26 -4.75 118.68 119.49 1a8b s LEU 29 Ca 0.00 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1a8b s LEU 29 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1a8b s LEU 29 CO 0.00 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.62 1a8b n GLY 30 N 2.71 -1.77 3.64 -3.19 0.00 -1.26 -5.02 105.19 100.30 1a8b n GLY 30 Ca 0.08 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.15 1a8b n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8b s THR 31 N 0.00 0.00 -1.14 2.61 2.01 -1.26 -4.81 115.64 113.04 1a8b s THR 31 Ca 0.00 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.91 1a8b s THR 31 Cb 0.00 -1.00 0.26 0.00 0.01 0.00 0.00 72.50 71.77 1a8b s THR 31 CO 0.00 0.00 1.35 -0.67 -0.69 0.00 0.00 174.62 174.61 1a8b n ASP 32 N 3.55 5.67 -0.37 3.53 -0.08 -0.28 -4.84 116.55 123.73 1a8b n ASP 32 Ca -0.18 -3.14 0.38 0.00 -1.51 0.00 0.00 54.79 50.34 1a8b n ASP 32 Cb 0.57 -1.40 0.75 0.00 2.34 0.00 0.00 41.12 43.39 1a8b n ASP 32 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1a8b h GLU 33 N 6.31 0.00 -0.53 -0.67 3.07 -1.98 0.49 114.58 121.27 1a8b h GLU 33 Ca 0.23 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.00 1a8b h GLU 33 Cb 0.78 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.67 1a8b h GLU 33 CO 1.21 0.00 -0.04 -0.44 -1.40 0.00 0.00 179.01 178.34 1a8b h ASP 34 N 0.00 0.94 0.66 1.42 3.32 -1.97 -1.17 116.42 119.61 1a8b h ASP 34 Ca 0.62 -0.33 -0.15 0.00 0.02 0.00 0.00 57.03 57.19 1a8b h ASP 34 Cb 2.53 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 41.81 1a8b h ASP 34 CO -0.01 1.04 -0.69 0.28 -1.72 0.00 0.00 179.24 178.14 1a8b h SER 35 N 0.82 0.04 0.34 6.45 0.02 -1.29 -1.02 113.55 118.91 1a8b h SER 35 Ca 0.14 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1a8b h SER 35 Cb 0.58 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1a8b h SER 35 CO 0.03 0.72 -0.16 0.40 -1.14 0.00 0.00 176.83 176.68 1a8b h ILE 36 N 0.02 0.00 -0.98 3.27 2.04 -1.53 -1.88 117.51 118.45 1a8b h ILE 36 Ca -0.01 -0.11 0.13 0.00 1.00 0.00 0.00 64.86 65.87 1a8b h ILE 36 Cb 1.23 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.22 1a8b h ILE 36 CO 0.09 0.00 0.62 0.25 0.00 0.00 0.00 178.15 179.11 1a8b h LEU 37 N -0.56 0.87 -1.05 1.44 6.46 -1.20 0.64 115.31 121.90 1a8b h LEU 37 Ca -0.05 0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 1a8b h LEU 37 Cb 0.35 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1a8b h LEU 37 CO 0.08 0.45 -0.46 0.78 -0.62 0.00 0.00 178.44 178.67 1a8b h ASN 38 N 0.93 0.00 0.17 1.25 2.35 -1.21 -2.72 115.58 116.35 1a8b h ASN 38 Ca 0.50 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 56.01 1a8b h ASN 38 Cb 0.56 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.96 1a8b h ASN 38 CO -0.26 0.46 -1.07 0.25 -1.65 0.00 0.00 177.43 175.15 1a8b h LEU 39 N 0.00 0.57 -0.28 1.61 5.85 0.11 -3.36 115.31 119.80 1a8b h LEU 39 Ca -0.00 -0.94 -0.19 0.00 0.84 0.00 0.00 57.88 57.59 1a8b h LEU 39 Cb 0.84 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1a8b h LEU 39 CO 0.06 1.51 -0.60 -0.07 -0.34 0.00 0.00 178.44 179.00 1a8b h LEU 40 N -0.22 0.95 0.00 2.25 3.38 -1.04 -2.76 115.31 117.87 1a8b h LEU 40 Ca -0.19 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1a8b h LEU 40 Cb 1.81 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1a8b h LEU 40 CO 0.18 1.33 0.00 0.35 0.09 0.00 0.00 178.44 180.39 1a8b n THR 41 N -3.99 0.00 -0.00 0.22 -2.24 -1.03 -2.70 114.28 104.54 1a8b n THR 41 Ca -0.05 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1a8b n THR 41 Cb 0.65 -0.56 0.07 0.00 -2.10 0.00 0.00 70.33 68.39 1a8b n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a8b n ALA 42 N -0.93 2.20 -2.37 6.98 0.00 -1.04 -4.73 120.51 120.62 1a8b n ALA 42 Ca 0.15 -0.94 -0.32 0.00 0.00 0.00 0.00 53.44 52.34 1a8b n ALA 42 Cb 0.07 -0.24 -0.15 0.00 0.00 0.00 0.00 19.45 19.13 1a8b n ALA 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1a8b s ARG 43 N -0.87 2.23 1.21 0.00 1.81 -1.10 -4.31 118.95 117.93 1a8b s ARG 43 Ca 0.12 -0.86 -0.14 0.00 -1.72 0.00 0.00 55.73 53.12 1a8b s ARG 43 Cb 0.06 -2.15 0.30 0.00 -0.45 0.00 0.00 34.95 32.71 1a8b s ARG 43 CO 0.09 0.58 1.01 -1.54 -0.68 0.00 0.00 175.30 174.76 1a8b s SER 44 N -0.67 0.62 0.33 0.23 1.04 -1.15 -4.73 113.70 109.37 1a8b s SER 44 Ca 0.11 1.34 0.18 0.00 0.48 0.00 0.00 55.95 58.06 1a8b s SER 44 Cb -0.10 -2.07 0.21 0.00 0.10 0.00 0.00 66.02 64.15 1a8b s SER 44 CO -0.00 -4.40 1.52 -1.13 0.98 0.00 0.00 173.24 170.21 1a8b h ASN 45 N -2.76 0.00 0.09 7.02 -0.73 -1.93 -1.10 115.58 116.18 1a8b h ASN 45 Ca -0.59 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 57.57 1a8b h ASN 45 Cb 1.34 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.93 1a8b h ASN 45 CO 0.48 0.36 -0.05 0.00 -0.37 0.00 0.00 177.43 177.85 1a8b h ALA 46 N 1.64 -0.13 -0.78 1.57 0.00 -1.97 -2.59 119.26 117.00 1a8b h ALA 46 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1a8b h ALA 46 Cb 1.24 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1a8b h ALA 46 CO 0.05 -0.57 0.39 1.96 0.00 0.00 0.00 179.25 181.08 1a8b h GLN 47 N -0.13 1.11 -0.34 0.00 4.20 -1.73 0.60 115.11 118.81 1a8b h GLN 47 Ca -0.01 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.57 1a8b h GLN 47 Cb 0.10 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1a8b h GLN 47 CO 0.02 0.84 0.23 0.00 -0.67 0.00 0.00 178.83 179.25 1a8b h ARG 48 N 1.11 0.38 -0.18 1.46 3.08 -0.96 -0.73 114.38 118.53 1a8b h ARG 48 Ca 0.27 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 60.09 1a8b h ARG 48 Cb 0.08 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.05 1a8b h ARG 48 CO -0.04 0.25 -0.72 1.96 -1.07 0.00 0.00 179.97 180.35 1a8b h GLN 49 N 0.39 0.77 -0.53 0.04 1.08 -0.52 -0.59 115.11 115.76 1a8b h GLN 49 Ca 0.13 -0.59 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 1a8b h GLN 49 Cb 0.06 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 1a8b h GLN 49 CO -0.03 1.21 0.31 1.96 -0.95 0.00 0.00 178.83 181.32 1a8b h GLN 50 N 0.55 0.73 -0.33 1.46 4.20 -1.19 -0.63 115.11 119.90 1a8b h GLN 50 Ca -0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1a8b h GLN 50 Cb 1.33 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 1a8b h GLN 50 CO 0.15 0.55 0.18 0.82 -0.67 0.00 0.00 178.83 179.85 1a8b h ILE 51 N 0.71 1.11 0.00 2.54 2.04 -0.92 -1.70 117.51 121.29 1a8b h ILE 51 Ca 0.19 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1a8b h ILE 51 Cb 0.02 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1a8b h ILE 51 CO -0.03 0.12 -0.21 0.00 0.00 0.00 0.00 178.15 178.02 1a8b h ALA 52 N 1.75 0.93 -0.24 1.87 0.00 0.34 -2.72 119.26 121.18 1a8b h ALA 52 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a8b h ALA 52 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a8b h ALA 52 CO -0.02 0.26 0.00 -1.91 0.00 0.00 0.00 179.25 177.58 1a8b n GLU 53 N -3.25 0.00 -0.33 0.00 4.07 -0.50 -3.36 120.64 117.28 1a8b n GLU 53 Ca 0.01 0.46 0.22 0.00 -0.06 0.00 0.00 57.16 57.79 1a8b n GLU 53 Cb 0.50 -1.38 0.44 0.00 -0.06 0.00 0.00 31.44 30.94 1a8b n GLU 53 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1a8b h GLU 54 N 0.00 0.31 -0.45 5.31 4.39 -1.54 0.64 114.58 123.24 1a8b h GLU 54 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1a8b h GLU 54 Cb 0.00 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1a8b h GLU 54 CO 0.00 0.20 0.28 0.35 -1.16 0.00 0.00 179.01 178.69 1a8b h PHE 55 N 0.32 0.57 0.11 4.33 3.57 -1.58 -0.52 116.94 123.75 1a8b h PHE 55 Ca 0.70 0.01 -0.33 0.00 3.53 0.00 0.00 57.97 61.88 1a8b h PHE 55 Cb 1.55 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 1a8b h PHE 55 CO -0.06 0.38 -1.75 -0.22 -2.23 0.00 0.00 178.31 174.43 1a8b h LYS 56 N 0.61 0.23 -0.07 1.11 3.64 -0.93 -1.44 116.57 119.72 1a8b h LYS 56 Ca 0.16 -0.39 -0.14 0.00 -1.27 0.00 0.00 60.65 59.01 1a8b h LYS 56 Cb -0.04 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1a8b h LYS 56 CO -0.03 1.06 -0.59 1.79 -2.27 0.00 0.00 179.45 179.42 1a8b h THR 57 N 0.06 1.38 0.02 1.00 1.35 -1.01 0.15 112.91 115.87 1a8b h THR 57 Ca -0.32 -1.94 -0.21 0.00 -0.55 0.00 0.00 66.41 63.38 1a8b h THR 57 Cb 2.03 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 70.42 1a8b h THR 57 CO 0.13 0.57 -0.96 -0.07 -0.25 0.00 0.00 175.52 174.94 1a8b h LEU 58 N 0.17 0.27 0.00 3.87 3.38 -1.19 -3.40 115.31 118.42 1a8b h LEU 58 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1a8b h LEU 58 Cb 1.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1a8b h LEU 58 CO 0.09 1.08 -0.20 0.49 0.09 0.00 0.00 178.44 179.99 1a8b n PHE 59 N -3.61 0.00 -1.69 1.13 3.72 -0.54 -5.01 117.46 111.46 1a8b n PHE 59 Ca -0.04 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.27 1a8b n PHE 59 Cb 0.86 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.38 1a8b n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a8b n GLY 60 N 1.10 0.55 3.38 1.37 0.00 0.53 -4.97 105.19 107.14 1a8b n GLY 60 Ca 0.00 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1a8b n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a8b s ARG 61 N -3.55 1.41 -0.29 1.61 0.52 -1.26 -5.05 118.95 112.35 1a8b s ARG 61 Ca 0.00 -1.60 -0.06 0.00 -0.52 0.00 0.00 55.73 53.55 1a8b s ARG 61 Cb 0.00 -1.34 0.01 0.00 0.52 0.00 0.00 34.95 34.15 1a8b s ARG 61 CO 0.00 0.24 0.06 0.34 0.02 0.00 0.00 175.30 175.96 1a8b s ASP 62 N -3.23 5.01 0.25 0.23 2.15 -1.26 -3.63 116.67 116.19 1a8b s ASP 62 Ca 0.23 -0.78 -0.05 0.00 0.43 0.00 0.00 52.55 52.38 1a8b s ASP 62 Cb -0.03 -1.84 0.34 0.00 -0.30 0.00 0.00 42.92 41.09 1a8b s ASP 62 CO 0.09 -0.19 1.86 0.25 -0.17 0.00 0.00 175.17 177.01 1a8b h LEU 63 N 8.19 0.91 -0.51 -1.34 5.85 -1.92 -1.58 115.31 124.92 1a8b h LEU 63 Ca -0.31 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.26 1a8b h LEU 63 Cb 1.12 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1a8b h LEU 63 CO 0.60 0.59 -0.53 0.58 -0.34 0.00 0.00 178.44 179.33 1a8b h VAL 64 N 1.05 1.31 -0.13 1.05 2.07 -1.95 -1.98 116.25 117.66 1a8b h VAL 64 Ca 0.38 -1.77 -0.14 0.00 0.82 0.00 0.00 66.70 66.00 1a8b h VAL 64 Cb 0.13 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1a8b h VAL 64 CO -0.16 0.55 -0.51 -1.13 0.02 0.00 0.00 177.57 176.34 1a8b h ASN 65 N 0.46 0.40 0.44 0.57 -1.24 -1.77 0.35 115.58 114.79 1a8b h ASN 65 Ca 0.01 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 1a8b h ASN 65 Cb 1.08 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.02 1a8b h ASN 65 CO 0.10 0.84 -0.21 0.44 -1.29 0.00 0.00 177.43 177.31 1a8b h ASP 66 N 0.29 -0.50 -0.88 1.15 3.32 -1.22 -1.92 116.42 116.65 1a8b h ASP 66 Ca 0.01 0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.31 1a8b h ASP 66 Cb 1.00 0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.53 1a8b h ASP 66 CO 0.09 -0.35 0.21 0.24 -1.72 0.00 0.00 179.24 177.71 1a8b h MET 67 N -0.61 0.18 -0.13 3.56 2.86 -1.33 0.90 114.93 120.34 1a8b h MET 67 Ca -0.06 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1a8b h MET 67 Cb 0.45 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1a8b h MET 67 CO 0.10 0.12 0.09 -0.22 1.06 0.00 0.00 176.91 178.06 1a8b h LYS 68 N 0.18 0.13 0.03 1.72 3.64 -0.88 -2.23 116.57 119.16 1a8b h LYS 68 Ca 0.55 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.70 1a8b h LYS 68 Cb 1.11 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1a8b h LYS 68 CO -0.68 0.08 -1.02 0.66 -2.27 0.00 0.00 179.45 176.22 1a8b h SER 69 N 0.13 0.14 0.00 4.20 4.64 0.16 -3.40 113.55 119.43 1a8b h SER 69 Ca 0.05 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1a8b h SER 69 Cb 0.06 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1a8b h SER 69 CO -0.01 1.07 0.00 -0.62 -0.87 0.00 0.00 176.83 176.40 1a8b n GLU 70 N -3.46 0.00 -1.02 4.77 -0.58 -0.76 -4.95 120.64 114.64 1a8b n GLU 70 Ca -0.03 0.35 -0.30 0.00 -0.42 0.00 0.00 57.16 56.77 1a8b n GLU 70 Cb 0.93 -1.06 0.16 0.00 -0.57 0.00 0.00 31.44 30.89 1a8b n GLU 70 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1a8b s LEU 71 N -3.11 2.05 0.26 -4.62 1.43 -0.86 -5.08 118.68 108.75 1a8b s LEU 71 Ca 0.00 1.57 -0.14 0.00 -1.03 0.00 0.00 54.13 54.53 1a8b s LEU 71 Cb 0.00 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1a8b s LEU 71 CO 0.00 -3.01 0.54 0.28 0.23 0.00 0.00 176.35 174.39 1a8b s THR 72 N -2.81 0.00 0.00 5.49 -1.32 -1.26 -4.83 115.64 110.91 1a8b s THR 72 Ca 0.65 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 1a8b s THR 72 Cb -0.20 -2.20 0.00 0.00 -1.51 0.00 0.00 72.50 68.59 1a8b s THR 72 CO 0.58 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 1a8b n GLY 73 N -0.41 0.97 0.41 6.08 0.00 -1.26 -2.27 105.19 108.72 1a8b n GLY 73 Ca -0.02 -0.61 0.23 0.00 0.00 0.00 0.00 46.02 45.62 1a8b n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a8b h LYS 74 N 0.00 0.01 -0.36 1.61 6.56 -2.00 -0.76 116.57 121.62 1a8b h LYS 74 Ca 0.00 -0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.46 1a8b h LYS 74 Cb 0.00 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1a8b h LYS 74 CO 0.00 0.01 -0.26 0.35 -2.06 0.00 0.00 179.45 177.48 1a8b h PHE 75 N 0.01 0.96 0.28 -1.35 3.57 -1.95 -2.02 116.94 116.45 1a8b h PHE 75 Ca 0.32 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1a8b h PHE 75 Cb 1.25 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1a8b h PHE 75 CO -0.00 1.04 -0.14 1.49 -2.23 0.00 0.00 178.31 178.47 1a8b h GLU 76 N 0.61 -0.37 -0.54 1.11 4.81 -0.70 -0.86 114.58 118.64 1a8b h GLU 76 Ca 0.07 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.43 1a8b h GLU 76 Cb 0.83 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 30.20 1a8b h GLU 76 CO 0.07 -0.25 -0.07 0.87 -0.73 0.00 0.00 179.01 178.91 1a8b h LYS 77 N -0.39 0.05 -0.21 1.92 1.79 -1.41 0.42 116.57 118.74 1a8b h LYS 77 Ca -0.04 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1a8b h LYS 77 Cb 0.30 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1a8b h LYS 77 CO 0.06 0.04 -0.08 1.25 -1.08 0.00 0.00 179.45 179.64 1a8b h LEU 78 N 0.06 0.43 -0.46 2.94 5.85 -1.13 -1.13 115.31 121.88 1a8b h LEU 78 Ca 0.27 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 1a8b h LEU 78 Cb 0.42 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1a8b h LEU 78 CO -0.50 0.73 0.05 0.40 -0.34 0.00 0.00 178.44 178.77 1a8b h ILE 79 N 0.13 1.25 -0.64 4.05 1.08 0.11 -1.49 117.51 122.02 1a8b h ILE 79 Ca 0.05 -0.95 0.09 0.00 -0.39 0.00 0.00 64.86 63.66 1a8b h ILE 79 Cb 0.55 0.98 -0.07 0.00 -3.07 0.00 0.00 36.82 35.21 1a8b h ILE 79 CO 0.03 0.33 0.28 0.58 -0.69 0.00 0.00 178.15 178.68 1a8b h VAL 80 N 0.63 0.83 -0.34 1.67 2.07 -0.57 -0.75 116.25 119.79 1a8b h VAL 80 Ca 0.14 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1a8b h VAL 80 Cb 0.42 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1a8b h VAL 80 CO 0.01 0.09 0.23 0.00 0.02 0.00 0.00 177.57 177.92 1a8b h ALA 81 N 1.40 1.79 0.00 1.67 0.00 -0.23 -1.94 119.26 121.96 1a8b h ALA 81 Ca 0.31 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1a8b h ALA 81 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a8b h ALA 81 CO -0.27 0.18 -0.34 -0.07 0.00 0.00 0.00 179.25 178.75 1a8b h LEU 82 N 0.43 0.00 0.00 0.00 -0.00 -0.37 -2.98 115.31 112.40 1a8b h LEU 82 Ca 0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.94 1a8b h LEU 82 Cb -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1a8b h LEU 82 CO -0.03 0.34 -0.54 0.24 -0.00 0.00 0.00 178.44 178.45 1a8b h MET 83 N 0.00 0.00 -6.23 1.13 2.86 -0.43 -3.46 114.93 108.80 1a8b h MET 83 Ca -0.00 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 56.94 1a8b h MET 83 Cb 1.26 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.96 1a8b h MET 83 CO 0.04 0.29 0.56 1.63 1.06 0.00 0.00 176.91 180.49 1a8b n LYS 84 N -3.09 1.12 -1.82 1.72 4.76 -0.93 -4.85 118.16 115.07 1a8b n LYS 84 Ca 0.01 0.41 -0.40 0.00 -2.87 0.00 0.00 58.31 55.45 1a8b n LYS 84 Cb 0.67 -2.06 0.01 0.00 -1.84 0.00 0.00 35.03 31.82 1a8b n LYS 84 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1a8b s PRO 85 N 1.24 3.79 0.23 1.97 0.02 -1.26 -4.79 135.00 136.20 1a8b s PRO 85 Ca 0.88 2.43 -0.11 0.00 0.02 0.00 0.00 61.00 64.22 1a8b s PRO 85 Cb -0.99 -2.73 0.32 0.00 0.02 0.00 0.00 34.50 31.12 1a8b s PRO 85 CO 0.52 -0.73 1.62 0.77 -0.33 0.00 0.00 177.00 178.85 1a8b h SER 86 N 2.49 -0.54 0.00 2.53 0.02 -1.91 -0.51 113.55 115.64 1a8b h SER 86 Ca -0.51 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1a8b h SER 86 Cb 1.26 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.20 1a8b h SER 86 CO 0.62 -0.21 0.00 -2.11 -1.14 0.00 0.00 176.83 173.99 1a8b n ARG 87 N -5.42 0.46 0.00 3.45 -4.01 -1.26 -2.37 116.66 107.51 1a8b n ARG 87 Ca 0.10 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.91 1a8b n ARG 87 Cb 0.39 -1.34 0.00 0.00 -3.04 0.00 0.00 32.46 28.47 1a8b n ARG 87 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1a8b n LEU 88 N -0.84 0.00 0.03 2.89 4.77 -0.24 -4.80 117.00 118.81 1a8b n LEU 88 Ca 0.07 -0.21 -0.06 0.00 -0.03 0.00 0.00 56.01 55.78 1a8b n LEU 88 Cb 0.03 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.26 1a8b n LEU 88 CO 0.06 0.00 0.59 0.22 -1.33 0.00 0.00 177.39 176.93 1a8b h TYR 89 N 0.00 0.52 -0.15 -1.77 3.20 -1.05 -1.45 116.97 116.26 1a8b h TYR 89 Ca 0.00 -0.15 -0.10 0.00 3.14 0.00 0.00 58.73 61.62 1a8b h TYR 89 Cb 0.00 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1a8b h TYR 89 CO 0.00 0.80 -0.29 -0.44 -1.64 0.00 0.00 178.16 176.59 1a8b h ASP 90 N 0.36 0.52 -0.90 -2.11 3.32 -1.89 -0.84 116.42 114.88 1a8b h ASP 90 Ca 0.03 -0.55 0.12 0.00 0.02 0.00 0.00 57.03 56.64 1a8b h ASP 90 Cb 0.91 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.24 1a8b h ASP 90 CO 0.08 0.97 0.58 0.00 -1.72 0.00 0.00 179.24 179.15 1a8b h ALA 91 N 0.56 1.70 -0.03 3.45 0.00 -1.82 0.23 119.26 123.35 1a8b h ALA 91 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a8b h ALA 91 Cb 0.88 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1a8b h ALA 91 CO 0.07 0.08 -0.02 -0.92 0.00 0.00 0.00 179.25 178.46 1a8b h TYR 92 N 0.81 0.07 -0.72 0.00 3.20 -0.98 -0.46 116.97 118.89 1a8b h TYR 92 Ca 0.44 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.25 1a8b h TYR 92 Cb 0.54 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1a8b h TYR 92 CO -0.00 0.49 0.31 0.93 -1.64 0.00 0.00 178.16 178.25 1a8b h GLU 93 N -0.36 1.05 0.13 1.82 4.39 0.01 -1.57 114.58 120.05 1a8b h GLU 93 Ca 0.01 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1a8b h GLU 93 Cb 0.48 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1a8b h GLU 93 CO 0.01 0.84 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.57 1a8b h LEU 94 N 1.04 -0.14 -1.17 1.33 3.38 -0.99 0.40 115.31 119.14 1a8b h LEU 94 Ca 0.25 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1a8b h LEU 94 Cb 0.17 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1a8b h LEU 94 CO -0.02 -0.07 0.55 0.50 0.09 0.00 0.00 178.44 179.48 1a8b h LYS 95 N -0.20 1.10 0.00 1.13 1.63 -0.85 -0.40 116.57 118.98 1a8b h LYS 95 Ca -0.02 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1a8b h LYS 95 Cb 0.16 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1a8b h LYS 95 CO 0.03 0.73 -0.13 0.45 -3.45 0.00 0.00 179.45 177.08 1a8b h HIS 96 N 1.13 0.00 -0.30 1.91 3.86 -1.21 0.32 115.15 120.86 1a8b h HIS 96 Ca 0.31 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.37 1a8b h HIS 96 Cb -0.13 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 1a8b h HIS 96 CO 0.00 0.13 -0.38 0.00 0.86 0.00 0.00 177.93 178.54 1a8b h ALA 97 N 1.87 0.46 -0.02 2.45 0.00 -0.30 -3.33 119.26 120.38 1a8b h ALA 97 Ca -0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 54.91 54.21 1a8b h ALA 97 Cb 1.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1a8b h ALA 97 CO 0.02 0.55 -0.98 -0.07 0.00 0.00 0.00 179.25 178.77 1a8b h LEU 98 N 0.56 0.80-10.37 0.00 3.38 -0.88 -2.92 115.31 105.88 1a8b h LEU 98 Ca 0.04 -0.62 -0.50 0.00 0.09 0.00 0.00 57.88 56.89 1a8b h LEU 98 Cb 0.98 -0.24 0.11 0.00 0.09 0.00 0.00 40.66 41.59 1a8b h LEU 98 CO 0.09 1.42 0.34 -0.54 0.09 0.00 0.00 178.44 179.84 1a8b s LYS 99 N -3.37 2.30 0.00 1.13 -0.14 0.08 -4.70 119.74 115.05 1a8b s LYS 99 Ca -0.09 0.80 0.00 0.00 -1.36 0.00 0.00 55.97 55.32 1a8b s LYS 99 Cb 0.08 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.30 1a8b s LYS 99 CO 0.90 -1.51 0.00 0.41 -0.76 0.00 0.00 175.35 174.39 1a8b n GLY 100 N -1.91 -0.81 0.00 -3.33 0.00 -1.26 -4.71 105.19 93.18 1a8b n GLY 100 Ca 0.07 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1a8b n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8b n ALA 101 N -0.70 -0.21 -0.31 4.61 0.00 -1.26 -4.72 120.51 117.92 1a8b n ALA 101 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1a8b n ALA 101 Cb 0.00 0.15 0.27 0.00 0.00 0.00 0.00 19.45 19.88 1a8b n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a8b n GLY 102 N -0.89 -3.44 3.18 0.00 0.00 -1.26 -5.06 105.19 97.72 1a8b n GLY 102 Ca 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 1a8b n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8b s THR 103 N -2.16 0.01 -0.58 2.61 2.01 -1.26 -4.66 115.64 111.62 1a8b s THR 103 Ca 0.64 -0.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 1a8b s THR 103 Cb -0.14 -0.44 0.14 0.00 0.01 0.00 0.00 72.50 72.07 1a8b s THR 103 CO 0.56 -0.06 0.55 -0.62 -0.69 0.00 0.00 174.62 174.36 1a8b s ASP 104 N -0.14 6.25 0.32 3.53 -1.08 -1.10 -4.94 116.67 119.51 1a8b s ASP 104 Ca -0.03 -1.86 0.00 0.00 -0.52 0.00 0.00 52.55 50.15 1a8b s ASP 104 Cb -0.03 -2.22 0.53 0.00 -1.46 0.00 0.00 42.92 39.74 1a8b s ASP 104 CO 0.01 -0.85 1.96 -0.33 0.52 0.00 0.00 175.17 176.48 1a8b h GLU 105 N 8.80 0.93 -0.81 4.34 3.07 -1.99 -2.74 114.58 126.18 1a8b h GLU 105 Ca -0.26 -0.08 0.18 0.00 -0.50 0.00 0.00 59.36 58.71 1a8b h GLU 105 Cb 1.09 -0.20 -0.11 0.00 -0.84 0.00 0.00 28.75 28.69 1a8b h GLU 105 CO 1.02 0.65 0.29 0.87 -1.40 0.00 0.00 179.01 180.43 1a8b h LYS 106 N 0.94 0.35 -0.00 2.33 1.57 -1.98 0.55 116.57 120.33 1a8b h LYS 106 Ca 0.25 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1a8b h LYS 106 Cb -0.04 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1a8b h LYS 106 CO -0.05 0.23 -0.00 0.28 -0.57 0.00 0.00 179.45 179.34 1a8b h VAL 107 N 0.36 1.51 -0.00 0.50 2.07 -1.91 0.15 116.25 118.93 1a8b h VAL 107 Ca 0.47 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1a8b h VAL 107 Cb 0.82 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 1a8b h VAL 107 CO -0.50 0.39 -0.32 -0.07 0.02 0.00 0.00 177.57 177.09 1a8b h LEU 108 N -0.63 -0.98 -0.71 2.57 3.38 -1.34 -0.57 115.31 117.03 1a8b h LEU 108 Ca -0.00 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1a8b h LEU 108 Cb 0.64 0.37 -0.12 0.00 0.09 0.00 0.00 40.66 41.64 1a8b h LEU 108 CO 0.00 -0.31 -0.45 0.74 0.09 0.00 0.00 178.44 178.51 1a8b h THR 109 N -0.40 0.06 -0.59 0.22 2.02 0.04 -1.26 112.91 112.99 1a8b h THR 109 Ca 0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.27 1a8b h THR 109 Cb 0.43 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 66.83 1a8b h THR 109 CO -0.21 0.00 0.24 -0.08 0.37 0.00 0.00 175.52 175.84 1a8b h GLU 110 N -0.16 0.43 0.04 6.66 4.81 -0.24 -1.13 114.58 124.99 1a8b h GLU 110 Ca 0.21 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1a8b h GLU 110 Cb 0.55 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1a8b h GLU 110 CO -0.77 0.29 -0.40 0.82 -0.73 0.00 0.00 179.01 178.21 1a8b h ILE 111 N 0.44 1.59 -0.41 2.32 2.04 -1.03 -2.75 117.51 119.72 1a8b h ILE 111 Ca 0.29 -2.38 -0.10 0.00 1.00 0.00 0.00 64.86 63.68 1a8b h ILE 111 Cb 0.32 3.19 -0.02 0.00 -0.74 0.00 0.00 36.82 39.57 1a8b h ILE 111 CO -0.27 0.61 -0.14 0.40 0.00 0.00 0.00 178.15 178.74 1a8b h ILE 112 N -0.82 1.26 -0.17 -0.67 2.04 -1.22 -1.97 117.51 115.95 1a8b h ILE 112 Ca -0.09 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 1a8b h ILE 112 Cb 1.22 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1a8b h ILE 112 CO 0.01 0.41 -0.26 0.00 0.00 0.00 0.00 178.15 178.31 1a8b h ALA 113 N 1.16 0.26 0.00 1.87 0.00 -1.36 -3.33 119.26 117.86 1a8b h ALA 113 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1a8b h ALA 113 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a8b h ALA 113 CO 0.04 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 1a8b n SER 114 N -4.41 0.57 -4.80 0.00 3.41 -1.04 -4.84 113.62 102.51 1a8b n SER 114 Ca -0.06 0.56 -0.38 0.00 -0.26 0.00 0.00 58.87 58.72 1a8b n SER 114 Cb 0.44 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 1a8b n SER 114 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1a8b s ARG 115 N -3.07 4.30 1.05 4.33 3.00 -0.75 -4.97 118.95 122.84 1a8b s ARG 115 Ca 0.11 0.87 -0.15 0.00 0.00 0.00 0.00 55.73 56.57 1a8b s ARG 115 Cb 0.14 -3.14 0.21 0.00 0.00 0.00 0.00 34.95 32.17 1a8b s ARG 115 CO 0.57 0.55 1.13 0.95 0.00 0.00 0.00 175.30 178.50 1a8b s THR 116 N -1.24 1.87 0.05 0.02 -4.23 -1.26 -4.82 115.64 106.03 1a8b s THR 116 Ca 0.35 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.59 1a8b s THR 116 Cb -0.20 -2.60 -0.17 0.00 1.34 0.00 0.00 72.50 70.88 1a8b s THR 116 CO 0.22 0.00 1.54 -0.65 -0.54 0.00 0.00 174.62 175.19 1a8b h PRO 117 N -2.02 -0.40 -0.98 3.99 0.11 -1.95 -0.10 132.00 130.66 1a8b h PRO 117 Ca -0.50 0.03 0.29 0.00 0.11 0.00 0.00 66.00 65.93 1a8b h PRO 117 Cb 1.31 0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.37 1a8b h PRO 117 CO 0.49 -0.18 0.51 0.93 -0.21 0.00 0.00 178.00 179.53 1a8b h GLU 118 N -0.53 0.35 -0.04 1.05 3.07 -1.95 0.56 114.58 117.09 1a8b h GLU 118 Ca -0.04 -0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.58 1a8b h GLU 118 Cb 0.40 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1a8b h GLU 118 CO 0.07 0.23 -0.88 0.93 -1.40 0.00 0.00 179.01 177.96 1a8b h GLU 119 N 0.36 0.47 -0.20 2.33 5.08 -1.70 -3.16 114.58 117.77 1a8b h GLU 119 Ca 0.68 -0.46 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1a8b h GLU 119 Cb 1.45 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1a8b h GLU 119 CO -0.59 1.10 -0.46 1.25 -1.00 0.00 0.00 179.01 179.32 1a8b h LEU 120 N 0.29 0.55 0.48 1.33 7.12 0.38 -0.56 115.31 124.91 1a8b h LEU 120 Ca -0.07 -0.26 -0.02 0.00 0.13 0.00 0.00 57.88 57.66 1a8b h LEU 120 Cb 1.50 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.48 1a8b h LEU 120 CO 0.16 0.93 -0.23 0.03 -0.13 0.00 0.00 178.44 179.19 1a8b h ARG 121 N 0.41 -0.62 -0.81 1.25 3.08 -1.00 -0.82 114.38 115.87 1a8b h ARG 121 Ca 0.03 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1a8b h ARG 121 Cb 0.96 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.09 1a8b h ARG 121 CO 0.09 -0.41 0.49 0.00 -1.07 0.00 0.00 179.97 179.06 1a8b h ALA 122 N -0.13 1.12 -0.42 0.04 0.00 -1.50 -0.93 119.26 117.43 1a8b h ALA 122 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1a8b h ALA 122 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1a8b h ALA 122 CO 0.11 0.20 0.03 0.82 0.00 0.00 0.00 179.25 180.41 1a8b h ILE 123 N 0.88 1.22 -0.24 0.00 2.04 -0.89 -2.33 117.51 118.19 1a8b h ILE 123 Ca 0.36 -0.84 -0.18 0.00 1.00 0.00 0.00 64.86 65.20 1a8b h ILE 123 Cb 0.20 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1a8b h ILE 123 CO -0.19 0.30 -0.57 0.11 0.00 0.00 0.00 178.15 177.80 1a8b h LYS 124 N 0.64 0.75 0.00 2.37 1.57 0.17 -2.34 116.57 119.72 1a8b h LYS 124 Ca 0.14 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1a8b h LYS 124 Cb 0.35 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1a8b h LYS 124 CO 0.01 1.11 0.00 1.04 -0.57 0.00 0.00 179.45 181.04 1a8b n GLN 125 N -3.98 0.00 -0.10 3.15 1.13 -0.69 -1.74 117.38 115.15 1a8b n GLN 125 Ca -0.04 0.77 -0.06 0.00 -1.94 0.00 0.00 57.00 55.74 1a8b n GLN 125 Cb 0.63 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.49 1a8b n GLN 125 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a8b h ALA 126 N -1.45 0.20 -0.90 -1.58 0.00 -1.50 -0.40 119.26 113.63 1a8b h ALA 126 Ca 0.00 0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.21 1a8b h ALA 126 Cb 0.00 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 1a8b h ALA 126 CO 0.00 -0.48 0.49 -0.92 0.00 0.00 0.00 179.25 178.33 1a8b h TYR 127 N -0.04 0.85 0.50 0.00 5.03 -1.37 0.68 116.97 122.62 1a8b h TYR 127 Ca 0.18 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 1a8b h TYR 127 Cb 0.30 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1a8b h TYR 127 CO -0.35 0.20 -0.24 1.49 -1.32 0.00 0.00 178.16 177.94 1a8b h GLU 128 N 0.67 -0.64 0.00 1.82 4.22 -0.84 0.11 114.58 119.92 1a8b h GLU 128 Ca 0.50 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.98 1a8b h GLU 128 Cb 0.72 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1a8b h GLU 128 CO -0.37 -0.43 0.00 -0.85 -2.18 0.00 0.00 179.01 175.18 1a8b n GLU 129 N -5.22 0.14 -0.02 1.92 0.28 -0.21 -0.91 120.64 116.63 1a8b n GLU 129 Ca -0.08 0.52 -0.18 0.00 -0.16 0.00 0.00 57.16 57.25 1a8b n GLU 129 Cb 0.26 -1.86 -0.14 0.00 1.43 0.00 0.00 31.44 31.13 1a8b n GLU 129 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1a8b n GLU 130 N -2.15 0.72 -0.00 3.44 -0.58 0.23 -4.69 120.64 117.62 1a8b n GLU 130 Ca 0.00 0.24 0.01 0.00 -0.42 0.00 0.00 57.16 57.00 1a8b n GLU 130 Cb 0.12 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.28 1a8b n GLU 130 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a8b n TYR 131 N -3.36 0.00 -3.31 -0.32 4.01 0.37 -5.02 117.16 109.54 1a8b n TYR 131 Ca -0.31 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.25 1a8b n TYR 131 Cb 1.05 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 40.13 1a8b n TYR 131 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a8b n GLY 132 N 1.20 -0.23 3.18 2.72 0.00 -0.09 -5.02 105.19 106.95 1a8b n GLY 132 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1a8b n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a8b s SER 133 N -3.49 0.49 0.01 1.61 0.01 -1.26 -5.10 113.70 105.96 1a8b s SER 133 Ca 0.34 -1.24 -0.00 0.00 1.31 0.00 0.00 55.95 56.35 1a8b s SER 133 Cb -0.15 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 1a8b s SER 133 CO 0.58 -0.72 0.10 0.21 0.41 0.00 0.00 173.24 173.82 1a8b s ASN 134 N -3.10 5.77 -0.03 2.44 3.84 -1.26 -4.15 114.94 118.44 1a8b s ASN 134 Ca 0.27 0.16 -0.25 0.00 0.21 0.00 0.00 52.86 53.25 1a8b s ASN 134 Cb 0.07 -1.67 -0.20 0.00 -0.55 0.00 0.00 41.25 38.90 1a8b s ASN 134 CO 0.04 0.26 1.17 0.25 -2.79 0.00 0.00 177.10 176.03 1a8b h LEU 135 N 3.95 -0.05 -0.60 3.21 5.85 -1.93 -2.80 115.31 122.94 1a8b h LEU 135 Ca -0.49 -0.49 0.12 0.00 0.84 0.00 0.00 57.88 57.86 1a8b h LEU 135 Cb 1.18 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.13 1a8b h LEU 135 CO 0.64 0.48 0.09 -0.08 -0.34 0.00 0.00 178.44 179.23 1a8b h GLU 136 N -0.60 0.20 -0.96 1.25 4.81 -1.97 0.24 114.58 117.56 1a8b h GLU 136 Ca -0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1a8b h GLU 136 Cb 0.53 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1a8b h GLU 136 CO 0.01 0.13 0.63 -0.44 -0.73 0.00 0.00 179.01 178.61 1a8b h ASP 137 N 0.21 1.05 0.08 1.04 3.32 -1.96 -0.61 116.42 119.54 1a8b h ASP 137 Ca 0.32 -0.01 -0.21 0.00 0.02 0.00 0.00 57.03 57.14 1a8b h ASP 137 Cb 0.49 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1a8b h ASP 137 CO -0.44 0.72 -0.81 0.44 -1.72 0.00 0.00 179.24 177.43 1a8b h ASP 138 N 1.22 0.72 0.31 6.45 3.32 -0.34 -0.38 116.42 127.72 1a8b h ASP 138 Ca 0.38 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1a8b h ASP 138 Cb -0.01 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1a8b h ASP 138 CO -0.11 1.28 -0.15 0.58 -1.72 0.00 0.00 179.24 179.11 1a8b h VAL 139 N 0.39 0.71 0.00 -1.35 2.07 -0.54 0.81 116.25 118.34 1a8b h VAL 139 Ca -0.06 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1a8b h VAL 139 Cb 1.42 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1a8b h VAL 139 CO 0.15 0.01 -0.02 0.58 0.02 0.00 0.00 177.57 178.32 1a8b h VAL 140 N -0.44 0.60 0.00 2.57 2.07 -1.10 0.13 116.25 120.07 1a8b h VAL 140 Ca -0.04 -0.07 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 1a8b h VAL 140 Cb 0.34 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1a8b h VAL 140 CO 0.07 0.02 -0.82 1.23 0.02 0.00 0.00 177.57 178.08 1a8b h GLY 141 N 0.10 0.08 0.30 2.17 0.00 0.87 -3.30 103.07 103.29 1a8b h GLY 141 Ca -0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 47.33 46.98 1a8b h GLY 141 CO 0.00 0.13 -1.99 1.22 0.00 0.00 0.00 176.54 175.91 1a8b n ASP 142 N -3.62 0.26 -4.98 0.19 8.00 0.25 -5.01 116.55 111.64 1a8b n ASP 142 Ca -0.02 0.12 -0.21 0.00 0.71 0.00 0.00 54.79 55.39 1a8b n ASP 142 Cb 0.78 1.02 0.02 0.00 -0.02 0.00 0.00 41.12 42.93 1a8b n ASP 142 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a8b s THR 143 N -2.91 2.30 0.13 -3.53 -4.23 -0.11 -4.99 115.64 102.31 1a8b s THR 143 Ca -0.07 -1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 59.26 1a8b s THR 143 Cb 0.09 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1a8b s THR 143 CO 0.85 0.00 0.12 -0.44 -0.54 0.00 0.00 174.62 174.61 1a8b s SER 144 N -4.45 0.23 0.96 3.99 0.01 -1.26 -4.85 113.70 108.33 1a8b s SER 144 Ca 0.53 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1a8b s SER 144 Cb -0.06 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1a8b s SER 144 CO 0.33 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1a8b n GLY 145 N -0.12 0.93 0.25 3.44 0.00 -1.26 -2.16 105.19 106.27 1a8b n GLY 145 Ca -0.07 -0.71 0.16 0.00 0.00 0.00 0.00 46.02 45.40 1a8b n GLY 145 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1a8b h TYR 146 N 0.00 0.00 0.51 1.61 0.05 -2.01 -2.12 116.97 115.01 1a8b h TYR 146 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1a8b h TYR 146 Cb 0.00 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.75 1a8b h TYR 146 CO 0.00 0.00 -0.25 -0.92 -1.05 0.00 0.00 178.16 175.94 1a8b h TYR 147 N 0.00 -0.64 -0.30 4.88 3.20 -1.92 -0.70 116.97 121.48 1a8b h TYR 147 Ca 0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 1a8b h TYR 147 Cb 0.55 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.96 1a8b h TYR 147 CO 0.00 -0.36 -0.16 0.37 -1.64 0.00 0.00 178.16 176.38 1a8b h GLN 148 N -0.78 -0.11 -0.77 1.82 4.15 -1.19 0.18 115.11 118.41 1a8b h GLN 148 Ca -0.07 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.38 1a8b h GLN 148 Cb 0.57 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 1a8b h GLN 148 CO 0.12 -0.07 0.51 0.00 -1.93 0.00 0.00 178.83 177.45 1a8b h ARG 149 N -0.12 0.95 -0.11 1.69 -0.00 -1.30 -0.60 114.38 114.88 1a8b h ARG 149 Ca 0.16 -0.06 -0.19 0.00 -0.50 0.00 0.00 59.98 59.39 1a8b h ARG 149 Cb 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 29.97 30.11 1a8b h ARG 149 CO -0.38 0.63 -0.71 1.98 0.00 0.00 0.00 179.97 181.49 1a8b h MET 150 N 0.97 0.50 -0.63 0.04 4.05 0.88 -1.88 114.93 118.86 1a8b h MET 150 Ca 0.30 -0.39 -0.06 0.00 -0.28 0.00 0.00 59.70 59.26 1a8b h MET 150 Cb -0.01 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1a8b h MET 150 CO -0.08 1.02 0.15 -0.07 0.23 0.00 0.00 176.91 178.16 1a8b h LEU 151 N 0.35 0.93 -0.51 3.39 3.38 -0.37 -2.56 115.31 119.92 1a8b h LEU 151 Ca -0.03 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 1a8b h LEU 151 Cb 1.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1a8b h LEU 151 CO 0.13 0.90 -0.27 0.58 0.09 0.00 0.00 178.44 179.88 1a8b h VAL 152 N 0.94 1.27 -0.60 1.22 2.07 -0.89 0.46 116.25 120.73 1a8b h VAL 152 Ca 0.20 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.37 1a8b h VAL 152 Cb 0.34 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1a8b h VAL 152 CO 0.00 0.49 0.26 0.58 0.02 0.00 0.00 177.57 178.92 1a8b h VAL 153 N 0.79 0.84 -0.25 2.57 2.07 -1.17 -2.03 116.25 119.07 1a8b h VAL 153 Ca 0.09 -0.16 -0.18 0.00 0.82 0.00 0.00 66.70 67.27 1a8b h VAL 153 Cb 0.84 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1a8b h VAL 153 CO 0.07 0.09 -0.56 -0.07 0.02 0.00 0.00 177.57 177.12 1a8b h LEU 154 N 0.47 0.93 -1.46 2.57 4.07 -1.00 -2.98 115.31 117.91 1a8b h LEU 154 Ca 0.29 -0.55 0.01 0.00 0.08 0.00 0.00 57.88 57.71 1a8b h LEU 154 Cb 0.30 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1a8b h LEU 154 CO -0.26 1.31 0.37 -0.07 -1.08 0.00 0.00 178.44 178.72 1a8b h LEU 155 N 0.59 0.63 -0.61 1.67 3.38 0.05 -0.90 115.31 120.12 1a8b h LEU 155 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1a8b h LEU 155 Cb 1.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1a8b h LEU 155 CO 0.12 0.45 0.17 0.00 0.09 0.00 0.00 178.44 179.27 1a8b n GLN 156 N -4.45 0.06 -4.23 1.13 1.13 -0.78 -4.83 117.38 105.41 1a8b n GLN 156 Ca 0.05 0.50 -0.36 0.00 -1.94 0.00 0.00 57.00 55.25 1a8b n GLN 156 Cb 0.05 -1.87 -0.03 0.00 0.11 0.00 0.00 30.24 28.50 1a8b n GLN 156 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a8b n ALA 157 N -1.52 -1.30 -1.24 -1.58 0.00 -0.34 -4.86 120.51 109.66 1a8b n ALA 157 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1a8b n ALA 157 Cb 0.18 -3.31 0.20 0.00 0.00 0.00 0.00 19.45 16.52 1a8b n ALA 157 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a8b n ASN 158 N -2.66 2.69 -4.72 0.00 3.02 -1.26 -4.82 115.26 107.50 1a8b n ASN 158 Ca 0.05 -3.40 -0.36 0.00 -0.03 0.00 0.00 54.58 50.85 1a8b n ASN 158 Cb 0.50 -0.53 0.09 0.00 -0.61 0.00 0.00 39.78 39.22 1a8b n ASN 158 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1a8b s ARG 159 N -3.03 2.28 0.59 3.52 3.52 -1.26 -4.94 118.95 119.63 1a8b s ARG 159 Ca 0.39 2.00 -0.19 0.00 -0.13 0.00 0.00 55.73 57.80 1a8b s ARG 159 Cb 0.35 -1.82 -0.04 0.00 -1.56 0.00 0.00 34.95 31.88 1a8b s ARG 159 CO 0.02 -1.79 1.19 -0.51 -0.81 0.00 0.00 175.30 173.41 1a8b s ASP 160 N -1.58 5.24 0.62 -2.12 1.11 0.31 -4.93 116.67 115.31 1a8b s ASP 160 Ca 0.80 2.35 -0.17 0.00 0.18 0.00 0.00 52.55 55.71 1a8b s ASP 160 Cb -0.36 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.02 1a8b s ASP 160 CO 0.43 -1.56 1.17 -2.84 1.18 0.00 0.00 175.17 173.55 1a8b s PRO 161 N -3.35 2.88 -0.08 8.23 0.02 -1.26 -3.83 135.00 137.60 1a8b s PRO 161 Ca 0.77 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 63.16 1a8b s PRO 161 Cb -0.29 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 1a8b s PRO 161 CO 0.33 -1.25 1.41 -0.51 -0.33 0.00 0.00 177.00 176.65 1a8b s ASP 162 N -1.92 6.85 0.44 2.53 1.11 -1.26 -4.62 116.67 119.79 1a8b s ASP 162 Ca 0.74 1.98 0.04 0.00 0.18 0.00 0.00 52.55 55.48 1a8b s ASP 162 Cb -0.27 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.16 1a8b s ASP 162 CO 0.36 -0.78 0.13 -0.89 1.18 0.00 0.00 175.17 175.17 1a8b s THR 163 N 3.23 0.55 0.56 -1.27 2.01 -1.26 -5.08 115.64 114.38 1a8b s THR 163 Ca 0.63 -2.00 -0.21 0.00 0.31 0.00 0.00 61.69 60.42 1a8b s THR 163 Cb -0.28 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 1a8b s THR 163 CO 0.23 0.00 1.25 0.00 -0.69 0.00 0.00 174.62 175.41 1a8b n ALA 164 N -0.99 1.17 -2.59 7.40 0.00 -1.26 -4.95 120.51 119.29 1a8b n ALA 164 Ca -0.08 0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1a8b n ALA 164 Cb 0.65 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.76 1a8b n ALA 164 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a8b s ILE 165 N -1.34 5.11 -0.39 0.00 1.01 -1.26 -5.05 121.20 119.28 1a8b s ILE 165 Ca 0.73 0.36 -0.05 0.00 0.00 0.00 0.00 60.65 61.68 1a8b s ILE 165 Cb -0.42 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.49 1a8b s ILE 165 CO 0.48 0.22 0.18 -0.62 0.00 0.00 0.00 174.94 175.20 1a8b s ASP 166 N -1.93 5.32 0.37 3.58 2.15 -1.26 -4.99 116.67 119.90 1a8b s ASP 166 Ca 0.35 -1.68 0.13 0.00 0.43 0.00 0.00 52.55 51.79 1a8b s ASP 166 Cb -0.13 -1.86 0.95 0.00 -0.30 0.00 0.00 42.92 41.57 1a8b s ASP 166 CO 0.20 -0.48 1.81 0.44 -0.17 0.00 0.00 175.17 176.96 1a8b h ASP 167 N 8.17 0.57 -0.70 -0.34 5.19 -1.98 0.10 116.42 127.43 1a8b h ASP 167 Ca -0.18 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.24 1a8b h ASP 167 Cb 1.06 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 1a8b h ASP 167 CO 0.69 0.20 0.20 0.00 -3.12 0.00 0.00 179.24 177.20 1a8b h ALA 168 N 1.62 1.01 -0.09 3.45 0.00 -1.99 0.28 119.26 123.56 1a8b h ALA 168 Ca 0.54 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 1a8b h ALA 168 Cb 1.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1a8b h ALA 168 CO -0.28 0.65 -0.60 1.96 0.00 0.00 0.00 179.25 180.98 1a8b h GLN 169 N 1.06 0.29 0.19 0.00 1.08 -1.31 0.95 115.11 117.37 1a8b h GLN 169 Ca 0.23 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1a8b h GLN 169 Cb 0.33 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1a8b h GLN 169 CO -0.00 0.80 -0.09 0.28 -0.95 0.00 0.00 178.83 178.87 1a8b h VAL 170 N 0.22 0.87 -0.44 -0.54 2.07 -0.04 -0.56 116.25 117.82 1a8b h VAL 170 Ca -0.01 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1a8b h VAL 170 Cb 1.11 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1a8b h VAL 170 CO 0.10 0.06 0.07 -0.33 0.02 0.00 0.00 177.57 177.49 1a8b h GLU 171 N -0.39 0.68 -0.64 1.57 5.08 -0.36 -1.70 114.58 118.83 1a8b h GLU 171 Ca -0.03 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1a8b h GLU 171 Cb 0.30 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1a8b h GLU 171 CO 0.04 0.65 0.38 1.25 -1.00 0.00 0.00 179.01 180.34 1a8b h LEU 172 N 0.66 0.61 -0.21 1.33 6.46 -0.60 -1.49 115.31 122.07 1a8b h LEU 172 Ca 0.14 0.01 -0.22 0.00 -0.12 0.00 0.00 57.88 57.70 1a8b h LEU 172 Cb 0.31 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1a8b h LEU 172 CO 0.00 0.41 -0.84 0.44 -0.62 0.00 0.00 178.44 177.84 1a8b h ASP 173 N 0.74 0.73 -0.41 1.25 3.32 -0.64 -1.69 116.42 119.72 1a8b h ASP 173 Ca 0.27 -0.51 -0.11 0.00 0.02 0.00 0.00 57.03 56.69 1a8b h ASP 173 Cb 0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1a8b h ASP 173 CO -0.13 1.29 -0.19 0.00 -1.72 0.00 0.00 179.24 178.50 1a8b h ALA 174 N 0.68 0.58 -0.63 3.45 0.00 -1.16 -2.54 119.26 119.64 1a8b h ALA 174 Ca -0.06 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1a8b h ALA 174 Cb 1.45 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1a8b h ALA 174 CO 0.16 0.53 0.41 0.37 0.00 0.00 0.00 179.25 180.71 1a8b h GLN 175 N 0.67 0.81 -0.24 0.00 5.75 -1.30 -1.86 115.11 118.93 1a8b h GLN 175 Ca 0.09 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 1a8b h GLN 175 Cb 0.74 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1a8b h GLN 175 CO 0.06 0.53 -0.16 0.00 -2.65 0.00 0.00 178.83 176.61 1a8b h ALA 176 N 1.24 1.27 -0.54 3.38 0.00 -1.18 -0.01 119.26 123.42 1a8b h ALA 176 Ca 0.24 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1a8b h ALA 176 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1a8b h ALA 176 CO -0.06 0.48 0.14 -0.07 0.00 0.00 0.00 179.25 179.73 1a8b h LEU 177 N 0.38 0.82 0.13 0.00 3.38 -1.27 0.25 115.31 119.02 1a8b h LEU 177 Ca 0.07 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1a8b h LEU 177 Cb 0.51 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1a8b h LEU 177 CO 0.03 0.84 -0.15 0.15 0.09 0.00 0.00 178.44 179.40 1a8b h PHE 178 N 0.77 -0.40 0.00 1.13 3.57 -0.76 0.25 116.94 121.50 1a8b h PHE 178 Ca 0.17 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1a8b h PHE 178 Cb 0.34 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1a8b h PHE 178 CO 0.02 -0.23 -0.16 1.96 -2.23 0.00 0.00 178.31 177.67 1a8b h GLN 179 N -0.33 0.00 0.00 1.11 4.20 -0.91 -2.40 115.11 116.78 1a8b h GLN 179 Ca 0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1a8b h GLN 179 Cb 0.32 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1a8b h GLN 179 CO -0.05 0.16 -0.55 0.00 -0.67 0.00 0.00 178.83 177.71 1a8b h ALA 180 N 1.84 0.67 -0.73 3.87 0.00 0.64 -3.36 119.26 122.19 1a8b h ALA 180 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1a8b h ALA 180 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1a8b h ALA 180 CO 0.02 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1a8b n GLY 181 N 1.23 -0.07 0.10 0.00 0.00 0.77 -1.79 105.19 105.44 1a8b n GLY 181 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1a8b n GLY 181 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a8b h GLU 182 N 0.00 0.23 -0.61 1.61 4.39 -1.64 -2.43 114.58 116.12 1a8b h GLU 182 Ca 0.00 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1a8b h GLU 182 Cb 0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1a8b h GLU 182 CO 0.00 0.50 0.00 1.28 -1.16 0.00 0.00 179.01 179.63 1a8b n LEU 183 N -4.76 0.61 -4.00 1.33 4.77 -1.10 -4.79 117.00 109.06 1a8b n LEU 183 Ca -0.06 -0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 55.38 1a8b n LEU 183 Cb 0.23 -0.31 -0.16 0.00 -2.33 0.00 0.00 43.42 40.85 1a8b n LEU 183 CO 0.36 0.15 -0.46 -0.75 -1.33 0.00 0.00 177.39 175.37 1a8b s LYS 184 N -1.23 1.44 0.16 3.23 2.20 -0.91 -4.93 119.74 119.70 1a8b s LYS 184 Ca 0.00 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 1a8b s LYS 184 Cb 0.00 -1.24 -0.08 0.00 -1.51 0.00 0.00 37.83 35.00 1a8b s LYS 184 CO 0.00 0.04 1.31 -0.46 -0.36 0.00 0.00 175.35 175.88 1a8b s TRP 185 N 0.59 3.28 0.00 4.03 -0.00 -1.26 -4.66 118.94 120.92 1a8b s TRP 185 Ca -0.12 1.17 0.00 0.00 -0.00 0.00 0.00 56.10 57.15 1a8b s TRP 185 Cb -0.14 -3.59 0.00 0.00 -0.00 0.00 0.00 33.47 29.73 1a8b s TRP 185 CO 0.03 -1.91 0.00 0.41 -0.00 0.00 0.00 176.95 175.47 1a8b n GLY 186 N 2.76 -0.45 3.16 5.86 0.00 -1.26 -4.95 105.19 110.32 1a8b n GLY 186 Ca 0.08 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 1a8b n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8b s THR 187 N 0.00 0.11 -0.92 2.61 2.01 -1.26 -4.86 115.64 113.33 1a8b s THR 187 Ca 0.00 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 1a8b s THR 187 Cb 0.00 -0.83 0.23 0.00 0.01 0.00 0.00 72.50 71.91 1a8b s THR 187 CO 0.00 -0.48 0.83 -0.62 -0.69 0.00 0.00 174.62 173.66 1a8b s ASP 188 N -1.96 6.23 0.28 3.53 -1.08 -0.74 -4.89 116.67 118.04 1a8b s ASP 188 Ca -0.07 -3.64 -0.01 0.00 -0.52 0.00 0.00 52.55 48.31 1a8b s ASP 188 Cb -0.02 -1.97 0.38 0.00 -1.46 0.00 0.00 42.92 39.85 1a8b s ASP 188 CO -0.03 -0.22 1.81 -0.33 0.52 0.00 0.00 175.17 176.93 1a8b h GLU 189 N 6.21 0.83 -0.19 4.34 3.07 -1.98 -1.67 114.58 125.20 1a8b h GLU 189 Ca 0.15 -0.18 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1a8b h GLU 189 Cb 0.83 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1a8b h GLU 189 CO 0.88 0.76 0.16 1.49 -1.40 0.00 0.00 179.01 180.90 1a8b h GLU 190 N 0.80 0.00 0.00 2.33 4.81 -1.99 0.23 114.58 120.76 1a8b h GLU 190 Ca 0.17 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.23 1a8b h GLU 190 Cb 0.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1a8b h GLU 190 CO 0.00 0.00 -0.82 0.87 -0.73 0.00 0.00 179.01 178.33 1a8b h LYS 191 N 0.00 0.00 -0.02 1.92 1.79 -1.72 -2.96 116.57 115.58 1a8b h LYS 191 Ca 0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1a8b h LYS 191 Cb 0.41 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1a8b h LYS 191 CO -0.00 0.82 -0.01 0.74 -1.08 0.00 0.00 179.45 179.92 1a8b h PHE 192 N 0.00 0.05 0.04 -1.35 0.04 -0.58 -1.88 116.94 113.25 1a8b h PHE 192 Ca -0.01 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.78 1a8b h PHE 192 Cb 1.55 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 39.64 1a8b h PHE 192 CO 0.00 0.44 -0.36 0.82 -0.60 0.00 0.00 178.31 178.61 1a8b h ILE 193 N -0.35 0.24 0.31 -0.55 2.04 -1.35 0.21 117.51 118.06 1a8b h ILE 193 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1a8b h ILE 193 Cb 0.43 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1a8b h ILE 193 CO 0.00 0.00 -0.38 0.74 0.00 0.00 0.00 178.15 178.52 1a8b h THR 194 N -0.54 0.23 -0.27 -0.27 2.02 -1.55 0.23 112.91 112.76 1a8b h THR 194 Ca 0.05 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.06 1a8b h THR 194 Cb 0.61 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1a8b h THR 194 CO -0.26 0.00 -0.49 0.40 0.37 0.00 0.00 175.52 175.54 1a8b h ILE 195 N -0.73 1.29 -0.15 3.11 2.04 -1.19 -1.22 117.51 120.67 1a8b h ILE 195 Ca -0.01 -1.68 -0.20 0.00 1.00 0.00 0.00 64.86 63.96 1a8b h ILE 195 Cb 0.68 1.60 0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1a8b h ILE 195 CO -0.10 0.54 -0.68 -0.07 0.00 0.00 0.00 178.15 177.84 1a8b h LEU 196 N 0.58 0.86 -0.58 1.44 4.07 -0.56 -3.09 115.31 118.03 1a8b h LEU 196 Ca 0.03 -0.63 -0.12 0.00 0.08 0.00 0.00 57.88 57.24 1a8b h LEU 196 Cb 1.05 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 1a8b h LEU 196 CO 0.10 1.34 -0.58 1.23 -1.08 0.00 0.00 178.44 179.45 1a8b h GLY 197 N 0.43 0.00 0.00 0.83 0.00 -0.60 -3.40 103.07 100.32 1a8b h GLY 197 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1a8b h GLY 197 CO 0.14 0.00 -0.48 -1.30 0.00 0.00 0.00 176.54 174.90 1a8b n THR 198 N -3.54 0.00 -2.16 4.70 -2.24 -0.46 -4.64 114.28 105.94 1a8b n THR 198 Ca -0.00 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 1a8b n THR 198 Cb 0.65 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 1a8b n THR 198 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a8b s ARG 199 N -1.52 3.76 0.87 -0.78 1.81 -1.17 -0.53 118.95 121.40 1a8b s ARG 199 Ca 0.00 0.82 -0.10 0.00 -1.72 0.00 0.00 55.73 54.73 1a8b s ARG 199 Cb 0.01 -2.12 0.12 0.00 -0.45 0.00 0.00 34.95 32.50 1a8b s ARG 199 CO 0.04 -0.41 1.13 -1.54 -0.68 0.00 0.00 175.30 173.84 1a8b s SER 200 N -3.64 3.44 0.02 0.23 1.04 -1.25 -4.44 113.70 109.10 1a8b s SER 200 Ca 0.56 2.05 -0.22 0.00 0.48 0.00 0.00 55.95 58.82 1a8b s SER 200 Cb -0.10 -2.54 -0.16 0.00 0.10 0.00 0.00 66.02 63.31 1a8b s SER 200 CO 0.43 -2.75 1.34 0.58 0.98 0.00 0.00 173.24 173.81 1a8b h VAL 201 N -1.63 1.35 -0.94 5.02 2.07 -1.89 -0.67 116.25 119.55 1a8b h VAL 201 Ca -0.44 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 65.97 1a8b h VAL 201 Cb 1.26 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.89 1a8b h VAL 201 CO 0.45 0.33 0.61 0.77 0.02 0.00 0.00 177.57 179.76 1a8b h SER 202 N -0.17 0.95 0.11 0.57 4.64 -1.93 -2.63 113.55 115.09 1a8b h SER 202 Ca 0.02 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1a8b h SER 202 Cb 0.57 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1a8b h SER 202 CO 0.02 0.60 -0.06 -0.74 -0.87 0.00 0.00 176.83 175.79 1a8b h HIS 203 N 1.07 -0.14 0.00 4.77 6.17 -1.91 -3.21 115.15 121.90 1a8b h HIS 203 Ca 0.41 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.47 1a8b h HIS 203 Cb 0.20 0.05 -0.00 0.00 2.52 0.00 0.00 27.41 30.18 1a8b h HIS 203 CO -0.00 0.28 -0.09 -0.07 0.71 0.00 0.00 177.93 178.76 1a8b h LEU 204 N -0.63 0.00 -1.37 0.26 3.38 -0.76 0.11 115.31 116.30 1a8b h LEU 204 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1a8b h LEU 204 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1a8b h LEU 204 CO 0.03 0.09 -0.31 0.03 0.09 0.00 0.00 178.44 178.37 1a8b h ARG 205 N 0.00 0.00 0.11 1.13 3.08 -1.55 0.31 114.38 117.46 1a8b h ARG 205 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1a8b h ARG 205 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1a8b h ARG 205 CO 0.01 0.31 -1.24 0.00 -1.07 0.00 0.00 179.97 177.97 1a8b h ARG 206 N 0.00 0.23 -0.59 0.04 2.47 -1.00 -3.22 114.38 112.30 1a8b h ARG 206 Ca -0.00 -0.39 -0.05 0.00 -1.26 0.00 0.00 59.98 58.28 1a8b h ARG 206 Cb 0.60 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 29.04 1a8b h ARG 206 CO 0.04 1.17 0.19 0.28 0.56 0.00 0.00 179.97 182.21 1a8b h VAL 207 N 0.06 1.23 -0.12 2.04 2.07 -0.61 -2.98 116.25 117.94 1a8b h VAL 207 Ca -0.13 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 1a8b h VAL 207 Cb 1.95 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1a8b h VAL 207 CO 0.19 0.30 -0.30 -0.26 0.02 0.00 0.00 177.57 177.52 1a8b h PHE 208 N 0.87 0.24 0.19 1.57 0.04 -0.98 -1.74 116.94 117.13 1a8b h PHE 208 Ca 0.20 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1a8b h PHE 208 Cb 0.25 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1a8b h PHE 208 CO 0.02 0.50 -0.09 -0.44 -0.60 0.00 0.00 178.31 177.70 1a8b h ASP 209 N 0.19 -0.22 -0.83 2.17 5.19 -1.59 -3.20 116.42 118.14 1a8b h ASP 209 Ca 0.03 0.01 0.17 0.00 -0.62 0.00 0.00 57.03 56.61 1a8b h ASP 209 Cb 0.63 0.06 -0.10 0.00 0.18 0.00 0.00 39.33 40.10 1a8b h ASP 209 CO 0.05 0.08 0.37 0.50 -3.12 0.00 0.00 179.24 177.12 1a8b h LYS 210 N -0.72 0.47 -0.95 3.56 1.63 -1.62 0.33 116.57 119.26 1a8b h LYS 210 Ca -0.03 -0.03 0.20 0.00 -0.85 0.00 0.00 60.65 59.94 1a8b h LYS 210 Cb 0.20 -0.11 -0.08 0.00 -0.60 0.00 0.00 32.23 31.64 1a8b h LYS 210 CO 0.04 0.31 0.61 -0.92 -3.45 0.00 0.00 179.45 176.05 1a8b h TYR 211 N 0.49 0.77 -0.05 1.91 3.20 -1.46 -0.09 116.97 121.74 1a8b h TYR 211 Ca 0.48 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.31 1a8b h TYR 211 Cb 0.77 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1a8b h TYR 211 CO -0.14 0.19 -0.19 1.98 -1.64 0.00 0.00 178.16 178.37 1a8b h MET 212 N 0.57 0.22 -0.74 1.82 4.05 -0.41 -0.03 114.93 120.41 1a8b h MET 212 Ca 0.52 -0.17 0.15 0.00 -0.28 0.00 0.00 59.70 59.92 1a8b h MET 212 Cb 1.05 0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 31.77 1a8b h MET 212 CO -0.26 0.80 0.24 1.15 0.23 0.00 0.00 176.91 179.07 1a8b h THR 213 N -0.32 0.58 0.07 -0.77 2.02 0.17 -0.09 112.91 114.58 1a8b h THR 213 Ca -0.01 -0.12 -0.23 0.00 0.77 0.00 0.00 66.41 66.82 1a8b h THR 213 Cb 0.83 0.20 0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1a8b h THR 213 CO 0.04 0.06 -0.94 0.40 0.37 0.00 0.00 175.52 175.46 1a8b h ILE 214 N 0.35 1.37 0.00 3.11 2.04 -1.06 -3.37 117.51 119.95 1a8b h ILE 214 Ca 0.42 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.94 1a8b h ILE 214 Cb 0.68 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 1a8b h ILE 214 CO -0.46 0.69 -1.57 -1.54 0.00 0.00 0.00 178.15 175.27 1a8b n SER 215 N -4.00 0.41 0.00 1.72 3.41 -0.03 -4.98 113.62 110.16 1a8b n SER 215 Ca -0.12 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 1a8b n SER 215 Cb 0.84 1.56 0.00 0.00 -0.26 0.00 0.00 64.21 66.35 1a8b n SER 215 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a8b n GLY 216 N 1.36 0.80 3.67 5.00 0.00 -0.06 -5.01 105.19 110.95 1a8b n GLY 216 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1a8b n GLY 216 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a8b s PHE 217 N -2.62 3.00 0.26 1.61 0.08 -1.26 -5.03 117.98 114.02 1a8b s PHE 217 Ca 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 56.93 56.96 1a8b s PHE 217 Cb 0.00 -1.58 -0.07 0.00 -0.57 0.00 0.00 43.02 40.80 1a8b s PHE 217 CO 0.00 0.46 0.57 -1.14 -0.10 0.00 0.00 175.22 175.01 1a8b s GLN 218 N -1.96 3.76 0.50 0.44 2.00 -1.26 -3.61 119.66 119.53 1a8b s GLN 218 Ca 0.23 0.23 0.18 0.00 -2.00 0.00 0.00 55.36 53.99 1a8b s GLN 218 Cb -0.12 -2.62 1.24 0.00 0.80 0.00 0.00 33.01 32.31 1a8b s GLN 218 CO 0.14 0.26 2.07 0.97 -0.50 0.00 0.00 175.29 178.23 1a8b h ILE 219 N 1.76 0.91 -0.28 -2.34 6.09 -1.94 0.13 117.51 121.85 1a8b h ILE 219 Ca -0.47 -0.04 -0.03 0.00 -1.37 0.00 0.00 64.86 62.95 1a8b h ILE 219 Cb 1.18 0.78 -0.02 0.00 0.47 0.00 0.00 36.82 39.23 1a8b h ILE 219 CO 0.68 0.02 0.06 -0.33 -3.07 0.00 0.00 178.15 175.51 1a8b h GLU 220 N 0.11 0.40 -0.02 2.19 3.07 -1.98 0.54 114.58 118.90 1a8b h GLU 220 Ca 0.14 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1a8b h GLU 220 Cb 0.41 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1a8b h GLU 220 CO -0.02 0.38 -0.14 0.93 -1.40 0.00 0.00 179.01 178.76 1a8b h GLU 221 N 0.40 0.14 -0.72 2.33 5.08 -1.13 -0.96 114.58 119.71 1a8b h GLU 221 Ca 0.10 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1a8b h GLU 221 Cb 0.17 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 1a8b h GLU 221 CO -0.00 0.79 0.41 1.15 -1.00 0.00 0.00 179.01 180.36 1a8b h THR 222 N -0.48 0.99 -0.94 1.13 2.02 -1.18 -0.11 112.91 114.33 1a8b h THR 222 Ca -0.01 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 66.97 1a8b h THR 222 Cb 0.82 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 1a8b h THR 222 CO 0.03 0.14 0.61 0.40 0.37 0.00 0.00 175.52 177.07 1a8b h ILE 223 N 0.76 1.09 -0.43 3.11 2.04 -0.75 0.46 117.51 123.78 1a8b h ILE 223 Ca 0.32 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1a8b h ILE 223 Cb 0.18 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 1a8b h ILE 223 CO -0.18 0.20 0.20 -0.78 0.00 0.00 0.00 178.15 177.60 1a8b h ASP 224 N 1.10 0.56 -0.24 1.72 1.82 0.30 -0.95 116.42 120.73 1a8b h ASP 224 Ca 0.40 -0.13 -0.19 0.00 -0.39 0.00 0.00 57.03 56.72 1a8b h ASP 224 Cb 0.16 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1a8b h ASP 224 CO -0.15 0.53 -0.60 0.03 -1.61 0.00 0.00 179.24 177.45 1a8b h ARG 225 N 0.55 0.83 -0.07 0.28 3.08 0.85 -3.30 114.38 116.61 1a8b h ARG 225 Ca 0.15 -0.57 -0.20 0.00 0.07 0.00 0.00 59.98 59.43 1a8b h ARG 225 Cb 0.12 0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.27 1a8b h ARG 225 CO -0.02 1.20 -0.72 0.93 -1.07 0.00 0.00 179.97 180.29 1a8b h GLU 226 N 0.59 0.61 -5.79 0.04 4.39 -0.15 -3.48 114.58 110.79 1a8b h GLU 226 Ca -0.01 -0.57 -0.59 0.00 0.34 0.00 0.00 59.36 58.54 1a8b h GLU 226 Cb 1.21 0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 29.91 1a8b h GLU 226 CO 0.13 1.18 -0.50 0.95 -1.16 0.00 0.00 179.01 179.62 1a8b s THR 227 N -3.51 2.08 0.30 1.13 -4.23 -0.37 -4.93 115.64 106.12 1a8b s THR 227 Ca -0.12 -1.75 0.05 0.00 -1.18 0.00 0.00 61.69 58.69 1a8b s THR 227 Cb 0.06 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 1a8b s THR 227 CO 0.87 0.00 0.18 -1.54 -0.54 0.00 0.00 174.62 173.58 1a8b n SER 228 N -1.25 0.29 0.00 3.99 3.41 -1.26 -4.81 113.62 113.99 1a8b n SER 228 Ca -0.04 -2.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 1a8b n SER 228 Cb 0.65 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 1a8b n SER 228 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a8b n GLY 229 N -0.39 0.52 0.24 5.00 0.00 -1.26 -1.56 105.19 107.74 1a8b n GLY 229 Ca 0.01 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.33 1a8b n GLY 229 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a8b h ASN 230 N 5.22 0.00 0.35 1.61 2.35 -2.00 -2.14 115.58 120.97 1a8b h ASN 230 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1a8b h ASN 230 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1a8b h ASN 230 CO 0.00 0.13 -0.77 0.25 -1.65 0.00 0.00 177.43 175.39 1a8b h LEU 231 N 0.00 0.41 -0.22 1.61 5.85 -1.94 -1.83 115.31 119.19 1a8b h LEU 231 Ca -0.00 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1a8b h LEU 231 Cb 0.65 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1a8b h LEU 231 CO 0.02 1.04 0.12 -0.08 -0.34 0.00 0.00 178.44 179.20 1a8b h GLU 232 N 0.22 0.25 -0.27 1.25 4.81 -0.65 0.43 114.58 120.63 1a8b h GLU 232 Ca -0.04 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1a8b h GLU 232 Cb 1.36 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.61 1a8b h GLU 232 CO 0.13 0.17 -0.20 -0.91 -0.73 0.00 0.00 179.01 177.46 1a8b h ASN 233 N 0.26 -0.67 0.06 1.04 2.35 -1.37 -1.36 115.58 115.89 1a8b h ASN 233 Ca 0.09 0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1a8b h ASN 233 Cb 0.00 0.33 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1a8b h ASN 233 CO -0.05 -0.24 -0.03 0.25 -1.65 0.00 0.00 177.43 175.71 1a8b h LEU 234 N -0.19 -0.07 -1.11 1.61 6.46 -1.14 0.16 115.31 121.02 1a8b h LEU 234 Ca 0.15 -0.24 0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1a8b h LEU 234 Cb 0.42 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 1a8b h LEU 234 CO -0.38 0.20 0.60 -0.07 -0.62 0.00 0.00 178.44 178.17 1a8b h LEU 235 N -0.35 1.01 -0.05 2.25 3.38 -0.64 0.69 115.31 121.60 1a8b h LEU 235 Ca -0.01 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1a8b h LEU 235 Cb 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1a8b h LEU 235 CO 0.01 0.71 -0.01 -0.07 0.09 0.00 0.00 178.44 179.17 1a8b h LEU 236 N 1.18 -0.05 -0.91 1.67 3.38 -1.17 0.17 115.31 119.57 1a8b h LEU 236 Ca 0.36 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.38 1a8b h LEU 236 Cb -0.03 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1a8b h LEU 236 CO -0.10 -0.02 0.59 0.00 0.09 0.00 0.00 178.44 179.00 1a8b h ALA 237 N 1.05 1.22 -0.25 1.53 0.00 0.24 -0.22 119.26 122.83 1a8b h ALA 237 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1a8b h ALA 237 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1a8b h ALA 237 CO -0.05 0.44 0.08 0.28 0.00 0.00 0.00 179.25 180.00 1a8b h VAL 238 N 1.14 1.19 -0.30 0.00 2.07 -0.57 -1.16 116.25 118.61 1a8b h VAL 238 Ca 0.37 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1a8b h VAL 238 Cb 0.03 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1a8b h VAL 238 CO -0.13 0.20 0.16 0.58 0.02 0.00 0.00 177.57 178.40 1a8b h VAL 239 N 0.24 1.01 -0.31 2.57 2.07 0.19 -0.88 116.25 121.13 1a8b h VAL 239 Ca 0.08 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1a8b h VAL 239 Cb 0.23 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1a8b h VAL 239 CO -0.00 0.06 -0.10 0.11 0.02 0.00 0.00 177.57 177.66 1a8b h LYS 240 N 0.33 0.52 0.00 1.57 1.57 -0.98 -0.07 116.57 119.52 1a8b h LYS 240 Ca 0.12 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1a8b h LYS 240 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1a8b h LYS 240 CO -0.07 0.62 -0.47 0.77 -0.57 0.00 0.00 179.45 179.73 1a8b h SER 241 N 0.49 0.00 -0.22 0.86 0.02 -0.65 0.23 113.55 114.28 1a8b h SER 241 Ca 0.09 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.86 1a8b h SER 241 Cb 0.47 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1a8b h SER 241 CO 0.03 0.47 -0.56 0.40 -1.14 0.00 0.00 176.83 176.03 1a8b h ILE 242 N 0.00 1.28 0.75 3.27 2.04 0.33 -3.11 117.51 122.08 1a8b h ILE 242 Ca -0.00 -1.75 -0.04 0.00 1.00 0.00 0.00 64.86 64.07 1a8b h ILE 242 Cb 1.01 1.66 0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1a8b h ILE 242 CO 0.06 0.57 -0.36 0.03 0.00 0.00 0.00 178.15 178.45 1a8b h ARG 243 N 0.62 -0.97 -2.52 2.37 3.08 -0.93 -3.46 114.38 112.56 1a8b h ARG 243 Ca 0.01 0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1a8b h ARG 243 Cb 1.15 0.22 -0.27 0.00 0.08 0.00 0.00 29.97 31.15 1a8b h ARG 243 CO 0.12 -0.63 -0.36 0.45 -1.07 0.00 0.00 179.97 178.48 1a8b s SER 244 N -4.40 -0.28 0.05 7.04 0.15 0.78 -5.04 113.70 112.01 1a8b s SER 244 Ca -0.16 0.98 -0.20 0.00 0.70 0.00 0.00 55.95 57.27 1a8b s SER 244 Cb 0.02 1.29 -0.13 0.00 -1.71 0.00 0.00 66.02 65.49 1a8b s SER 244 CO 0.49 -0.23 1.42 0.40 1.20 0.00 0.00 173.24 176.52 1a8b h ILE 245 N 6.10 1.30 -0.68 6.45 2.04 -1.72 -1.18 117.51 129.82 1a8b h ILE 245 Ca -0.18 -1.09 0.11 0.00 1.00 0.00 0.00 64.86 64.70 1a8b h ILE 245 Cb 1.12 1.67 -0.12 0.00 -0.74 0.00 0.00 36.82 38.75 1a8b h ILE 245 CO 0.14 0.32 -0.39 -0.65 0.00 0.00 0.00 178.15 177.57 1a8b h PRO 246 N 0.03 -0.14 -0.29 2.37 0.11 -1.93 0.76 132.00 132.91 1a8b h PRO 246 Ca 0.04 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 1a8b h PRO 246 Cb 0.53 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1a8b h PRO 246 CO 0.02 -0.10 -0.18 0.00 -0.21 0.00 0.00 178.00 177.54 1a8b h ALA 247 N 0.91 1.15 -0.86 -0.75 0.00 -1.89 0.23 119.26 118.05 1a8b h ALA 247 Ca 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1a8b h ALA 247 Cb 0.56 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1a8b h ALA 247 CO -0.75 0.53 0.44 -0.92 0.00 0.00 0.00 179.25 178.56 1a8b h TYR 248 N 0.47 1.20 0.05 0.00 3.20 0.19 -0.25 116.97 121.83 1a8b h TYR 248 Ca 0.08 -0.04 -0.26 0.00 3.14 0.00 0.00 58.73 61.65 1a8b h TYR 248 Cb 0.58 -0.38 0.01 0.00 1.54 0.00 0.00 36.73 38.49 1a8b h TYR 248 CO 0.02 0.84 -1.09 -0.07 -1.64 0.00 0.00 178.16 176.23 1a8b h LEU 249 N 1.21 0.68 0.01 2.82 3.38 0.42 0.15 115.31 123.98 1a8b h LEU 249 Ca 0.30 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1a8b h LEU 249 Cb 0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1a8b h LEU 249 CO -0.04 1.40 -0.31 0.00 0.09 0.00 0.00 178.44 179.58 1a8b h ALA 250 N 0.54 -0.45 -0.97 1.53 0.00 -0.61 0.81 119.26 120.10 1a8b h ALA 250 Ca -0.13 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1a8b h ALA 250 Cb 1.75 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 20.03 1a8b h ALA 250 CO 0.20 -0.82 0.64 1.49 0.00 0.00 0.00 179.25 180.76 1a8b h GLU 251 N -0.46 1.23 -0.20 0.00 4.81 -0.96 0.27 114.58 119.26 1a8b h GLU 251 Ca 0.06 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1a8b h GLU 251 Cb 0.55 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1a8b h GLU 251 CO -0.25 0.81 -0.04 1.15 -0.73 0.00 0.00 179.01 179.95 1a8b h THR 252 N 1.26 1.15 -0.18 0.32 2.02 -0.02 -2.86 112.91 114.61 1a8b h THR 252 Ca 0.38 -0.61 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 1a8b h THR 252 Cb -0.05 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1a8b h THR 252 CO -0.10 0.20 -0.32 -0.07 0.37 0.00 0.00 175.52 175.60 1a8b h LEU 253 N 0.29 0.59 -0.28 2.58 3.38 0.31 -3.14 115.31 119.02 1a8b h LEU 253 Ca 0.06 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.56 1a8b h LEU 253 Cb 0.26 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1a8b h LEU 253 CO 0.01 1.02 -0.16 0.22 0.09 0.00 0.00 178.44 179.62 1a8b h TYR 254 N 0.18 -0.41 0.00 1.13 3.20 -0.78 0.11 116.97 120.40 1a8b h TYR 254 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1a8b h TYR 254 Cb 0.91 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1a8b h TYR 254 CO 0.09 -0.24 0.00 0.66 -1.64 0.00 0.00 178.16 177.03 1a8b n TYR 255 N -5.33 0.00 0.05 -3.82 4.01 -1.12 -1.02 117.16 109.93 1a8b n TYR 255 Ca -0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1a8b n TYR 255 Cb 0.25 -0.17 -0.14 0.00 -0.31 0.00 0.00 39.34 38.97 1a8b n TYR 255 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a8b h ALA 256 N 3.31 -0.07 0.02 -0.72 0.00 -0.75 -3.39 119.26 117.66 1a8b h ALA 256 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 54.91 53.92 1a8b h ALA 256 Cb 0.13 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1a8b h ALA 256 CO 0.00 0.40 -1.72 0.52 0.00 0.00 0.00 179.25 178.45 1a8b h MET 257 N -0.29 0.05 -0.95 0.00 2.86 -0.81 -1.99 114.93 113.80 1a8b h MET 257 Ca -0.14 -0.08 0.29 0.00 -2.06 0.00 0.00 59.70 57.70 1a8b h MET 257 Cb 1.64 0.03 -0.18 0.00 0.06 0.00 0.00 31.60 33.15 1a8b h MET 257 CO 0.16 0.64 0.11 1.17 1.06 0.00 0.00 176.91 180.05 1a8b n LYS 258 N -3.13 -0.07 -0.06 1.72 4.81 -0.19 -4.78 118.16 116.45 1a8b n LYS 258 Ca -0.19 1.41 0.00 0.00 -0.87 0.00 0.00 58.31 58.66 1a8b n LYS 258 Cb 1.05 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1a8b n LYS 258 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a8b n GLY 259 N -1.44 -0.44 2.88 3.14 0.00 -1.26 -4.93 105.19 103.15 1a8b n GLY 259 Ca 0.25 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 1a8b n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8b n ALA 260 N -3.00 4.64 0.00 4.61 0.00 -1.26 -4.51 120.51 120.99 1a8b n ALA 260 Ca 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1a8b n ALA 260 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 15.87 1a8b n ALA 260 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a8b n GLY 261 N 4.28 0.41 3.52 0.00 0.00 -1.26 -5.06 105.19 107.08 1a8b n GLY 261 Ca 0.51 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1a8b n GLY 261 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8b s THR 262 N -2.35 -0.01 -0.95 2.61 2.01 -1.26 -4.82 115.64 110.87 1a8b s THR 262 Ca 0.00 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 61.79 1a8b s THR 262 Cb 0.00 -0.86 0.06 0.00 0.01 0.00 0.00 72.50 71.70 1a8b s THR 262 CO 0.00 0.01 1.36 -0.62 -0.69 0.00 0.00 174.62 174.68 1a8b s ASP 263 N 1.12 6.45 0.09 3.53 -1.08 -0.75 -4.86 116.67 121.17 1a8b s ASP 263 Ca -0.06 -1.35 -0.28 0.00 -0.52 0.00 0.00 52.55 50.34 1a8b s ASP 263 Cb -0.05 -2.54 -0.15 0.00 -1.46 0.00 0.00 42.92 38.71 1a8b s ASP 263 CO -0.11 -1.50 1.67 0.44 0.52 0.00 0.00 175.17 176.19 1a8b h ASP 264 N 9.70 -0.46 -0.86 -0.34 3.32 -1.98 -1.29 116.42 124.50 1a8b h ASP 264 Ca 0.10 0.03 0.22 0.00 0.02 0.00 0.00 57.03 57.39 1a8b h ASP 264 Cb 1.02 0.14 -0.13 0.00 0.22 0.00 0.00 39.33 40.58 1a8b h ASP 264 CO 1.35 -0.30 0.31 -0.74 -1.72 0.00 0.00 179.24 178.14 1a8b h HIS 265 N -0.47 0.49 -0.07 4.55 2.76 -1.99 0.42 115.15 120.83 1a8b h HIS 265 Ca -0.03 0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.03 1a8b h HIS 265 Cb 0.39 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1a8b h HIS 265 CO -0.09 -0.11 -0.61 1.15 -1.30 0.00 0.00 177.93 176.97 1a8b h THR 266 N 0.31 1.39 -0.37 6.26 2.02 -1.93 -0.81 112.91 119.77 1a8b h THR 266 Ca 0.54 -2.00 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 1a8b h THR 266 Cb 1.03 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 1a8b h THR 266 CO -0.57 0.59 0.00 0.25 0.37 0.00 0.00 175.52 176.16 1a8b h LEU 267 N 0.19 0.65 0.31 2.58 6.46 0.89 -2.15 115.31 124.23 1a8b h LEU 267 Ca -0.01 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.43 1a8b h LEU 267 Cb 1.13 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1a8b h LEU 267 CO 0.10 0.80 -0.15 0.40 -0.62 0.00 0.00 178.44 178.97 1a8b h ILE 268 N 0.48 0.69 -0.77 4.05 2.04 -0.61 -2.74 117.51 120.65 1a8b h ILE 268 Ca 0.11 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.43 1a8b h ILE 268 Cb 0.47 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1a8b h ILE 268 CO 0.02 0.12 0.50 -0.09 0.00 0.00 0.00 178.15 178.70 1a8b h ARG 269 N -0.77 0.73 0.13 2.37 2.43 -1.06 -0.15 114.38 118.07 1a8b h ARG 269 Ca -0.04 -0.04 -0.30 0.00 -0.81 0.00 0.00 59.98 58.79 1a8b h ARG 269 Cb 0.50 -0.17 0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1a8b h ARG 269 CO 0.07 0.48 -1.25 0.28 -1.51 0.00 0.00 179.97 178.04 1a8b h VAL 270 N 0.75 1.31 -0.20 0.20 2.07 -1.44 -1.56 116.25 117.38 1a8b h VAL 270 Ca 0.34 -2.54 -0.12 0.00 0.82 0.00 0.00 66.70 65.20 1a8b h VAL 270 Cb 0.35 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1a8b h VAL 270 CO -0.12 0.77 -0.34 0.40 0.02 0.00 0.00 177.57 178.30 1a8b h ILE 271 N 0.24 1.33 -0.06 4.57 1.08 -0.83 -2.78 117.51 121.06 1a8b h ILE 271 Ca -0.18 -1.56 -0.01 0.00 -0.39 0.00 0.00 64.86 62.72 1a8b h ILE 271 Cb 1.93 1.83 -0.00 0.00 -3.07 0.00 0.00 36.82 37.51 1a8b h ILE 271 CO 0.23 0.48 -0.01 0.58 -0.69 0.00 0.00 178.15 178.74 1a8b h VAL 272 N 0.26 1.28 0.00 1.67 2.07 -1.20 0.27 116.25 120.61 1a8b h VAL 272 Ca 0.02 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1a8b h VAL 272 Cb 0.93 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1a8b h VAL 272 CO 0.08 0.24 -0.11 0.77 0.02 0.00 0.00 177.57 178.57 1a8b h SER 273 N -0.21 0.00 0.00 0.57 4.64 -1.28 -2.68 113.55 114.59 1a8b h SER 273 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1a8b h SER 273 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1a8b h SER 273 CO 0.01 0.11 -1.26 0.54 -0.87 0.00 0.00 176.83 175.36 1a8b n ARG 274 N -4.03 1.22 -0.32 4.77 5.12 -1.05 -4.59 116.66 117.77 1a8b n ARG 274 Ca -0.02 -0.08 0.23 0.00 -1.93 0.00 0.00 57.85 56.04 1a8b n ARG 274 Cb 0.20 -1.26 0.43 0.00 -1.16 0.00 0.00 32.46 30.66 1a8b n ARG 274 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1a8b n SER 275 N -1.73 0.12 -0.75 0.55 3.41 0.95 0.09 113.62 116.26 1a8b n SER 275 Ca -0.01 1.60 0.11 0.00 -0.26 0.00 0.00 58.87 60.32 1a8b n SER 275 Cb 0.31 -0.69 0.05 0.00 -0.26 0.00 0.00 64.21 63.63 1a8b n SER 275 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a8b n GLU 276 N -5.28 1.83 -0.03 4.33 1.02 -1.26 -1.31 120.64 119.94 1a8b n GLU 276 Ca 0.30 -1.52 -0.03 0.00 -0.02 0.00 0.00 57.16 55.89 1a8b n GLU 276 Cb 1.00 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.94 1a8b n GLU 276 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1a8b n ILE 277 N 0.74 0.50 -1.53 -3.67 5.41 0.11 -4.11 119.36 116.82 1a8b n ILE 277 Ca 0.12 0.35 0.00 0.00 1.00 0.00 0.00 62.75 64.22 1a8b n ILE 277 Cb 0.54 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 1a8b n ILE 277 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1a8b n ASP 278 N -3.13 0.00 -0.04 4.38 5.68 -0.80 -2.84 116.55 119.81 1a8b n ASP 278 Ca -0.04 -1.23 0.24 0.00 -0.50 0.00 0.00 54.79 53.26 1a8b n ASP 278 Cb 0.16 -0.05 0.69 0.00 -1.14 0.00 0.00 41.12 40.78 1a8b n ASP 278 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1a8b h LEU 279 N 0.00 0.00 -0.43 -2.12 5.85 -1.53 -1.27 115.31 115.81 1a8b h LEU 279 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1a8b h LEU 279 Cb 1.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1a8b h LEU 279 CO 0.00 0.00 0.14 0.15 -0.34 0.00 0.00 178.44 178.39 1a8b h PHE 280 N 0.00 0.70 -0.43 1.25 3.57 -1.13 -1.81 116.94 119.08 1a8b h PHE 280 Ca 0.32 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 1a8b h PHE 280 Cb 1.60 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1a8b h PHE 280 CO 0.00 0.63 -0.09 -0.91 -2.23 0.00 0.00 178.31 175.71 1a8b h ASN 281 N 0.56 0.83 -0.78 0.41 4.21 -1.34 -1.58 115.58 117.89 1a8b h ASN 281 Ca 0.14 -0.36 0.09 0.00 1.21 0.00 0.00 56.30 57.38 1a8b h ASN 281 Cb 0.26 -0.23 -0.05 0.00 -1.12 0.00 0.00 38.32 37.18 1a8b h ASN 281 CO -0.00 0.99 0.51 0.40 -1.29 0.00 0.00 177.43 178.04 1a8b h ILE 282 N 0.66 0.97 -0.11 2.81 2.04 -1.23 -1.70 117.51 120.95 1a8b h ILE 282 Ca 0.11 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1a8b h ILE 282 Cb 0.62 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1a8b h ILE 282 CO 0.04 0.14 -0.04 0.03 0.00 0.00 0.00 178.15 178.32 1a8b h ARG 283 N 0.75 0.22 -0.29 2.37 3.08 -0.65 0.02 114.38 119.89 1a8b h ARG 283 Ca 0.35 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.36 1a8b h ARG 283 Cb 0.38 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 1a8b h ARG 283 CO -0.13 0.54 -0.47 0.87 -1.07 0.00 0.00 179.97 179.71 1a8b h LYS 284 N -0.11 -0.41 0.00 0.04 1.57 -0.44 -1.54 116.57 115.67 1a8b h LYS 284 Ca 0.03 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1a8b h LYS 284 Cb 0.47 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1a8b h LYS 284 CO 0.01 -0.28 -0.06 0.93 -0.57 0.00 0.00 179.45 179.49 1a8b h GLU 285 N -0.43 0.00 -0.35 3.15 4.39 -1.37 -0.53 114.58 119.43 1a8b h GLU 285 Ca 0.09 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1a8b h GLU 285 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1a8b h GLU 285 CO -0.51 0.06 0.11 0.35 -1.16 0.00 0.00 179.01 177.86 1a8b h PHE 286 N 0.00 0.56 0.38 4.33 3.57 0.01 -1.76 116.94 124.03 1a8b h PHE 286 Ca -0.00 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1a8b h PHE 286 Cb 0.11 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1a8b h PHE 286 CO 0.00 0.55 -0.18 -0.09 -2.23 0.00 0.00 178.31 176.36 1a8b h ARG 287 N 0.41 -0.49 -0.75 1.11 9.65 -0.73 0.15 114.38 123.73 1a8b h ARG 287 Ca 0.11 0.03 0.16 0.00 -1.10 0.00 0.00 59.98 59.19 1a8b h ARG 287 Cb 0.25 0.11 -0.14 0.00 -1.39 0.00 0.00 29.97 28.80 1a8b h ARG 287 CO -0.00 -0.18 -0.09 -0.22 2.80 0.00 0.00 179.97 182.28 1a8b h LYS 288 N -0.92 0.05 0.00 0.20 3.64 -1.18 0.36 116.57 118.72 1a8b h LYS 288 Ca -0.05 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1a8b h LYS 288 Cb 0.54 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1a8b h LYS 288 CO 0.09 0.03 -0.83 -0.91 -2.27 0.00 0.00 179.45 175.56 1a8b h ASN 289 N 0.05 0.00 0.00 4.20 -0.26 -1.32 -3.41 115.58 114.83 1a8b h ASN 289 Ca 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.13 1a8b h ASN 289 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 1a8b h ASN 289 CO -0.72 0.02 0.00 0.49 -1.06 0.00 0.00 177.43 176.16 1a8b n PHE 290 N -2.76 0.00 0.00 1.19 3.72 0.54 -5.00 117.46 115.14 1a8b n PHE 290 Ca 0.00 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 1a8b n PHE 290 Cb 0.55 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1a8b n PHE 290 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a8b n ALA 291 N -0.20 0.00 -1.73 4.37 0.00 -0.23 -4.91 120.51 117.81 1a8b n ALA 291 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1a8b n ALA 291 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 1a8b n ALA 291 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a8b s THR 292 N 0.00 3.90 0.33 0.00 2.01 -1.26 -4.95 115.64 115.66 1a8b s THR 292 Ca 0.00 0.99 0.00 0.00 0.31 0.00 0.00 61.69 62.99 1a8b s THR 292 Cb 0.00 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1a8b s THR 292 CO 0.00 -0.44 0.53 -0.55 -0.69 0.00 0.00 174.62 173.47 1a8b s SER 293 N -2.57 6.31 0.21 3.53 0.15 -1.26 -3.98 113.70 116.10 1a8b s SER 293 Ca 0.64 0.45 0.01 0.00 0.70 0.00 0.00 55.95 57.75 1a8b s SER 293 Cb -0.15 -2.03 0.18 0.00 -1.71 0.00 0.00 66.02 62.31 1a8b s SER 293 CO 0.31 -0.26 1.53 0.25 1.20 0.00 0.00 173.24 176.26 1a8b h LEU 294 N 0.93 0.41 0.03 3.45 5.85 -1.87 -2.50 115.31 121.61 1a8b h LEU 294 Ca -0.50 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.02 1a8b h LEU 294 Cb 1.21 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1a8b h LEU 294 CO 0.62 0.91 -0.27 0.22 -0.34 0.00 0.00 178.44 179.59 1a8b h TYR 295 N 0.27 -0.72 -0.84 1.25 5.03 -1.86 0.65 116.97 120.74 1a8b h TYR 295 Ca -0.01 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.38 1a8b h TYR 295 Cb 1.13 0.32 -0.06 0.00 1.55 0.00 0.00 36.73 39.66 1a8b h TYR 295 CO 0.03 -0.36 0.52 0.77 -1.32 0.00 0.00 178.16 177.80 1a8b h SER 296 N -0.43 0.82 -0.42 -2.11 0.02 -1.89 0.47 113.55 110.01 1a8b h SER 296 Ca 0.05 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 1a8b h SER 296 Cb 0.50 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1a8b h SER 296 CO -0.21 0.53 -0.19 -0.03 -1.14 0.00 0.00 176.83 175.79 1a8b h MET 297 N 0.96 0.87 -0.29 3.45 1.85 -0.93 -1.13 114.93 119.70 1a8b h MET 297 Ca 0.36 -0.37 -0.15 0.00 -0.61 0.00 0.00 59.70 58.94 1a8b h MET 297 Cb 0.15 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.15 1a8b h MET 297 CO -0.17 1.02 -0.41 0.82 -0.40 0.00 0.00 176.91 177.77 1a8b h ILE 298 N 0.69 1.29 0.00 1.77 2.04 0.68 -2.84 117.51 121.14 1a8b h ILE 298 Ca 0.10 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 1a8b h ILE 298 Cb 0.75 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1a8b h ILE 298 CO 0.06 0.51 -0.16 0.50 0.00 0.00 0.00 178.15 179.06 1a8b h LYS 299 N 0.57 0.00 -0.01 2.37 3.64 0.10 -1.30 116.57 121.95 1a8b h LYS 299 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1a8b h LYS 299 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1a8b h LYS 299 CO 0.09 0.16 -0.58 0.41 -2.27 0.00 0.00 179.45 177.26 1a8b n GLY 300 N -0.68 -0.75 0.08 5.01 0.00 -0.55 -4.47 105.19 103.84 1a8b n GLY 300 Ca -0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 1a8b n GLY 300 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a8b n ASP 301 N -0.97 0.09 -4.55 1.61 8.00 -0.56 -4.98 116.55 115.19 1a8b n ASP 301 Ca 0.07 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.24 1a8b n ASP 301 Cb 0.37 1.21 -0.12 0.00 -0.02 0.00 0.00 41.12 42.56 1a8b n ASP 301 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a8b s THR 302 N -2.70 3.53 0.50 -3.53 -4.23 -0.79 -4.96 115.64 103.46 1a8b s THR 302 Ca -0.09 -0.54 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 1a8b s THR 302 Cb 0.08 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 1a8b s THR 302 CO 0.83 0.59 0.11 -0.94 -0.54 0.00 0.00 174.62 174.68 1a8b s SER 303 N -0.76 4.25 0.21 3.99 1.04 -1.26 -4.68 113.70 116.49 1a8b s SER 303 Ca 0.12 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1a8b s SER 303 Cb -0.11 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1a8b s SER 303 CO 0.01 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1a8b n GLY 304 N -1.35 -1.14 0.34 7.32 0.00 -1.26 -2.34 105.19 106.76 1a8b n GLY 304 Ca -0.12 -1.23 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 1a8b n GLY 304 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a8b h ASP 305 N 0.00 1.00 -0.09 1.61 3.32 -1.99 -2.91 116.42 117.36 1a8b h ASP 305 Ca 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 56.95 1a8b h ASP 305 Cb 0.00 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.23 1a8b h ASP 305 CO 0.00 0.86 -0.52 0.22 -1.72 0.00 0.00 179.24 178.08 1a8b h TYR 306 N 1.08 -1.53 -0.53 4.55 3.20 -1.93 0.87 116.97 122.67 1a8b h TYR 306 Ca 0.26 0.06 0.11 0.00 3.14 0.00 0.00 58.73 62.29 1a8b h TYR 306 Cb 0.15 0.68 -0.10 0.00 1.54 0.00 0.00 36.73 39.01 1a8b h TYR 306 CO 0.01 -0.55 -0.13 -0.22 -1.64 0.00 0.00 178.16 175.64 1a8b h LYS 307 N -0.60 0.00 -0.39 1.82 3.64 -1.28 0.19 116.57 119.96 1a8b h LYS 307 Ca 0.03 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1a8b h LYS 307 Cb 0.69 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1a8b h LYS 307 CO -0.41 0.00 -0.15 0.87 -2.27 0.00 0.00 179.45 177.49 1a8b h LYS 308 N 0.00 0.71 -0.32 1.90 1.57 -1.18 -0.46 116.57 118.80 1a8b h LYS 308 Ca 0.25 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1a8b h LYS 308 Cb 0.39 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1a8b h LYS 308 CO -0.54 0.83 0.08 0.00 -0.57 0.00 0.00 179.45 179.25 1a8b h ALA 309 N 1.19 0.42 -0.54 3.86 0.00 -0.36 -1.43 119.26 122.40 1a8b h ALA 309 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1a8b h ALA 309 Cb 0.62 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1a8b h ALA 309 CO 0.04 0.09 0.29 -0.07 0.00 0.00 0.00 179.25 179.60 1a8b h LEU 310 N 0.35 0.68 -0.75 0.00 4.07 0.06 -1.19 115.31 118.54 1a8b h LEU 310 Ca 0.10 -0.10 -0.12 0.00 0.08 0.00 0.00 57.88 57.85 1a8b h LEU 310 Cb 0.30 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1a8b h LEU 310 CO 0.00 0.58 -0.55 -0.07 -1.08 0.00 0.00 178.44 177.32 1a8b h LEU 311 N 0.72 0.00 -0.47 1.67 3.38 -0.98 0.09 115.31 119.73 1a8b h LEU 311 Ca 0.19 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 1a8b h LEU 311 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1a8b h LEU 311 CO -0.03 0.55 -0.57 -0.07 0.09 0.00 0.00 178.44 178.41 1a8b h LEU 312 N 0.00 0.67 -0.21 1.67 3.38 -0.91 -0.26 115.31 119.65 1a8b h LEU 312 Ca -0.01 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1a8b h LEU 312 Cb 1.08 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1a8b h LEU 312 CO 0.07 1.09 -0.12 -0.07 0.09 0.00 0.00 178.44 179.50 1a8b h LEU 313 N 0.45 0.46 0.03 1.67 4.07 -0.05 -3.28 115.31 118.67 1a8b h LEU 313 Ca 0.00 -0.43 0.02 0.00 0.08 0.00 0.00 57.88 57.55 1a8b h LEU 313 Cb 1.13 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.71 1a8b h LEU 313 CO 0.11 0.79 -0.15 0.00 -1.08 0.00 0.00 178.44 178.11 1a8b n GLY 315 N -1.28 -1.86 0.88 0.00 0.00 -0.12 -4.88 105.19 97.94 1a8b n GLY 315 Ca -0.06 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 1a8b n GLY 315 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8b n GLY 316 N -0.56 0.00 3.71 -0.02 0.00 -1.26 -4.79 105.19 102.27 1a8b n GLY 316 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1a8b n GLY 316 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a8b s GLU 317 N -0.13 4.43 0.00 1.61 2.56 -1.26 -1.70 118.70 124.21 1a8b s GLU 317 Ca 0.01 1.69 0.00 0.00 0.00 0.00 0.00 54.97 56.67 1a8b s GLU 317 Cb -0.00 -3.42 0.00 0.00 2.00 0.00 0.00 34.13 32.71 1a8b s GLU 317 CO 0.02 -0.27 0.00 -0.40 -0.56 0.00 0.00 175.26 174.05 1a8b n ASP 318 N 4.25 0.00 0.00 -1.70 5.68 -1.26 -5.11 116.55 118.41 1a8b n ASP 318 Ca 0.09 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.51 1a8b n ASP 318 Cb 0.47 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.24 1a8b n ASP 318 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34